HOME

TheInfoList



OR:

A phonon is a collective excitation in a periodic,
elastic Elastic is a word often used to describe or identify certain types of elastomer, Elastic (notion), elastic used in garments or stretch fabric, stretchable fabrics. Elastic may also refer to: Alternative name * Rubber band, ring-shaped band of rub ...
arrangement of
atom Atoms are the basic particles of the chemical elements. An atom consists of a atomic nucleus, nucleus of protons and generally neutrons, surrounded by an electromagnetically bound swarm of electrons. The chemical elements are distinguished fr ...
s or
molecule A molecule is a group of two or more atoms that are held together by Force, attractive forces known as chemical bonds; depending on context, the term may or may not include ions that satisfy this criterion. In quantum physics, organic chemi ...
s in condensed matter, specifically in
solid Solid is a state of matter where molecules are closely packed and can not slide past each other. Solids resist compression, expansion, or external forces that would alter its shape, with the degree to which they are resisted dependent upon the ...
s and some
liquid Liquid is a state of matter with a definite volume but no fixed shape. Liquids adapt to the shape of their container and are nearly incompressible, maintaining their volume even under pressure. The density of a liquid is usually close to th ...
s. In the context of optically trapped objects, the quantized vibration mode can be defined as phonons as long as the modal wavelength of the oscillation is smaller than the size of the object. A type of quasiparticle in
physics Physics is the scientific study of matter, its Elementary particle, fundamental constituents, its motion and behavior through space and time, and the related entities of energy and force. "Physical science is that department of knowledge whi ...
, a phonon is an
excited state In quantum mechanics Quantum mechanics is the fundamental physical Scientific theory, theory that describes the behavior of matter and of light; its unusual characteristics typically occur at and below the scale of atoms. Reprinted, Add ...
in the quantum mechanical quantization of the modes of vibrations for elastic structures of interacting particles. Phonons can be thought of as quantized sound waves, similar to photons as quantized light waves. The study of phonons is an important part of condensed matter physics. They play a major role in many of the physical properties of condensed matter systems, such as
thermal conductivity The thermal conductivity of a material is a measure of its ability to heat conduction, conduct heat. It is commonly denoted by k, \lambda, or \kappa and is measured in W·m−1·K−1. Heat transfer occurs at a lower rate in materials of low ...
and
electrical conductivity Electrical resistivity (also called volume resistivity or specific electrical resistance) is a fundamental specific property of a material that measures its electrical resistance or how strongly it resists electric current. A low resistivity in ...
, as well as in models of neutron scattering and related effects. The concept of phonons was introduced in 1930 by
Soviet The Union of Soviet Socialist Republics. (USSR), commonly known as the Soviet Union, was a List of former transcontinental countries#Since 1700, transcontinental country that spanned much of Eurasia from 1922 until Dissolution of the Soviet ...
physicist Igor Tamm. The name ''phonon'' was suggested by Yakov Frenkel. It comes from the Greek word (), which translates to ''sound'' or ''voice'', because long-wavelength phonons give rise to
sound In physics, sound is a vibration that propagates as an acoustic wave through a transmission medium such as a gas, liquid or solid. In human physiology and psychology, sound is the ''reception'' of such waves and their ''perception'' by the br ...
. The name emphasizes the analogy to the word ''photon'', in that phonons represent wave-particle duality for sound waves in the same way that photons represent wave-particle duality for light waves. Solids with more than one atom in the smallest unit cell exhibit both acoustic and optical phonons.


Definition

A phonon is the quantum mechanical description of an elementary
vibration Vibration () is a mechanical phenomenon whereby oscillations occur about an equilibrium point. Vibration may be deterministic if the oscillations can be characterised precisely (e.g. the periodic motion of a pendulum), or random if the os ...
al motion in which a lattice of atoms or molecules uniformly oscillates at a single
frequency Frequency is the number of occurrences of a repeating event per unit of time. Frequency is an important parameter used in science and engineering to specify the rate of oscillatory and vibratory phenomena, such as mechanical vibrations, audio ...
. In
classical mechanics Classical mechanics is a Theoretical physics, physical theory describing the motion of objects such as projectiles, parts of Machine (mechanical), machinery, spacecraft, planets, stars, and galaxies. The development of classical mechanics inv ...
this designates a
normal mode A normal mode of a dynamical system is a pattern of motion in which all parts of the system move sinusoidally with the same frequency and with a fixed phase relation. The free motion described by the normal modes takes place at fixed frequencies ...
of vibration. Normal modes are important because any arbitrary lattice vibration can be considered to be a superposition of these ''elementary'' vibration modes (cf. Fourier analysis). While normal modes are wave-like phenomena in classical mechanics, phonons have particle-like properties too, in a way related to the wave–particle duality of quantum mechanics.


Lattice dynamics

The equations in this section do not use
axiom An axiom, postulate, or assumption is a statement that is taken to be true, to serve as a premise or starting point for further reasoning and arguments. The word comes from the Ancient Greek word (), meaning 'that which is thought worthy or ...
s of quantum mechanics but instead use relations for which there exists a direct correspondence in classical mechanics. For example: a rigid regular, crystalline (not
amorphous In condensed matter physics and materials science, an amorphous solid (or non-crystalline solid) is a solid that lacks the long-range order that is a characteristic of a crystal. The terms "glass" and "glassy solid" are sometimes used synonymousl ...
) lattice is composed of ''N'' particles. These particles may be atoms or molecules. ''N'' is a large number, say of the order of 1023, or on the order of the Avogadro number for a typical sample of a solid. Since the lattice is rigid, the atoms must be exerting
force In physics, a force is an influence that can cause an Physical object, object to change its velocity unless counterbalanced by other forces. In mechanics, force makes ideas like 'pushing' or 'pulling' mathematically precise. Because the Magnitu ...
s on one another to keep each atom near its equilibrium position. These forces may be Van der Waals forces,
covalent bond A covalent bond is a chemical bond that involves the sharing of electrons to form electron pairs between atoms. These electron pairs are known as shared pairs or bonding pairs. The stable balance of attractive and repulsive forces between atom ...
s, electrostatic attractions, and others, all of which are ultimately due to the
electric Electricity is the set of physical phenomena associated with the presence and motion of matter possessing an electric charge. Electricity is related to magnetism, both being part of the phenomenon of electromagnetism, as described by Maxwel ...
force. Magnetic and gravitational forces are generally negligible. The forces between each pair of atoms may be characterized by a
potential energy In physics, potential energy is the energy of an object or system due to the body's position relative to other objects, or the configuration of its particles. The energy is equal to the work done against any restoring forces, such as gravity ...
function ''V'' that depends on the distance of separation of the atoms. The potential energy of the entire lattice is the sum of all pairwise potential energies multiplied by a factor of 1/2 to compensate for double counting: :\frac12\sum_ V\left(r_i - r_j\right) where ''ri'' is the position of the ''i''th atom, and ''V'' is the potential energy between two atoms. It is difficult to solve this many-body problem explicitly in either classical or quantum mechanics. In order to simplify the task, two important approximations are usually imposed. First, the sum is only performed over neighboring atoms. Although the electric forces in real solids extend to infinity, this approximation is still valid because the fields produced by distant atoms are effectively screened. Secondly, the potentials ''V'' are treated as harmonic potentials. This is permissible as long as the atoms remain close to their equilibrium positions. Formally, this is accomplished by Taylor expanding ''V'' about its equilibrium value to quadratic order, giving ''V'' proportional to the displacement ''x''2 and the elastic force simply proportional to ''x''. The error in ignoring higher order terms remains small if ''x'' remains close to the equilibrium position. The resulting lattice may be visualized as a system of balls connected by springs. The following figure shows a cubic lattice, which is a good model for many types of crystalline solid. Other lattices include a linear chain, which is a very simple lattice which we will shortly use for modeling phonons. (For other common lattices, see
crystal structure In crystallography, crystal structure is a description of ordered arrangement of atoms, ions, or molecules in a crystalline material. Ordered structures occur from intrinsic nature of constituent particles to form symmetric patterns that repeat ...
.) : The potential energy of the lattice may now be written as :\sum_ \tfrac12 m \omega^2 \left(R_i - R_j\right)^2. Here, ''ω'' is the natural frequency of the harmonic potentials, which are assumed to be the same since the lattice is regular. ''Ri'' is the position coordinate of the ''i''th atom, which we now measure from its equilibrium position. The sum over nearest neighbors is denoted (nn). It is important to mention that the mathematical treatment given here is highly simplified in order to make it accessible to non-experts. The simplification has been achieved by making two basic assumptions in the expression for the total potential energy of the crystal. These assumptions are that (i) the total potential energy can be written as a sum of pairwise interactions, and (ii) each atom interacts with only its nearest neighbors. These are used only sparingly in modern lattice dynamics.Maradudin, A.; Montroll, E.; Weiss, G.; Ipatova, I. (1971). ''Theory of lattice dynamics in the harmonic approximation''. Solid State Physics. Vol. Supplement 3 (Second ed.). New York: Academic Press. A more general approach is to express the potential energy in terms of force constants. See, for example, the Wiki article on multiscale Green's functions.


Lattice waves

Due to the connections between atoms, the displacement of one or more atoms from their equilibrium positions gives rise to a set of vibration
wave In physics, mathematics, engineering, and related fields, a wave is a propagating dynamic disturbance (change from List of types of equilibrium, equilibrium) of one or more quantities. ''Periodic waves'' oscillate repeatedly about an equilibrium ...
s propagating through the lattice. One such wave is shown in the figure to the right. The amplitude of the wave is given by the displacements of the atoms from their equilibrium positions. The
wavelength In physics and mathematics, wavelength or spatial period of a wave or periodic function is the distance over which the wave's shape repeats. In other words, it is the distance between consecutive corresponding points of the same ''phase (waves ...
''λ'' is marked. There is a minimum possible wavelength, given by twice the equilibrium separation ''a'' between atoms. Any wavelength shorter than this can be mapped onto a wavelength longer than 2''a'', due to the periodicity of the lattice. This can be thought of as a consequence of the Nyquist–Shannon sampling theorem, the lattice points being viewed as the "sampling points" of a continuous wave. Not every possible lattice vibration has a well-defined wavelength and frequency. However, the
normal mode A normal mode of a dynamical system is a pattern of motion in which all parts of the system move sinusoidally with the same frequency and with a fixed phase relation. The free motion described by the normal modes takes place at fixed frequencies ...
s do possess well-defined wavelengths and frequencies.


One-dimensional lattice

In order to simplify the analysis needed for a 3-dimensional lattice of atoms, it is convenient to model a 1-dimensional lattice or linear chain. This model is complex enough to display the salient features of phonons.


Classical treatment

The forces between the atoms are assumed to be linear and nearest-neighbour, and they are represented by an elastic spring. Each atom is assumed to be a point particle and the nucleus and electrons move in step ( adiabatic theorem): ::::::::''n'' − 1 ''n'' ''n'' + 1 ← ''a'' → ···o++++++o++++++o++++++o++++++o++++++o++++++o++++++o++++++o++++++o··· ::::::::→→→→→→ ::::::::''u''''n'' − 1''un'u''''n'' + 1 where labels the th atom out of a total of , is the distance between atoms when the chain is in equilibrium, and the displacement of the th atom from its equilibrium position. If ''C'' is the elastic constant of the spring and the mass of the atom, then the equation of motion of the th atom is :-2Cu_n + C\left(u_ + u_\right) = m\frac . This is a set of coupled equations. Since the solutions are expected to be oscillatory, new coordinates are defined by a
discrete Fourier transform In mathematics, the discrete Fourier transform (DFT) converts a finite sequence of equally-spaced Sampling (signal processing), samples of a function (mathematics), function into a same-length sequence of equally-spaced samples of the discre ...
, in order to decouple them. Put :u_n = \sum_^N Q_k e^. Here, corresponds and devolves to the continuous variable of scalar field theory. The are known as the ''normal coordinates'' for continuum field modes \phi_k = e^ with k = 2\pi j/(Na) for j=1\dots N. Substitution into the equation of motion produces the following ''decoupled equations'' (this requires a significant manipulation using the orthonormality and completeness relations of the discrete Fourier transform), : 2C(\cos )Q_k = m\frac. These are the equations for decoupled harmonic oscillators which have the solution :Q_k=A_ke^;\qquad \omega_k=\sqrt. Each normal coordinate ''Qk'' represents an independent vibrational mode of the lattice with wavenumber , which is known as a
normal mode A normal mode of a dynamical system is a pattern of motion in which all parts of the system move sinusoidally with the same frequency and with a fixed phase relation. The free motion described by the normal modes takes place at fixed frequencies ...
. The second equation, for , is known as the dispersion relation between the
angular frequency In physics, angular frequency (symbol ''ω''), also called angular speed and angular rate, is a scalar measure of the angle rate (the angle per unit time) or the temporal rate of change of the phase argument of a sinusoidal waveform or sine ...
and the
wavenumber In the physical sciences, the wavenumber (or wave number), also known as repetency, is the spatial frequency of a wave. Ordinary wavenumber is defined as the number of wave cycles divided by length; it is a physical quantity with dimension of ...
. In the continuum limit, →0, →∞, with held fixed, → , a scalar field, and \omega(k) \propto k a. This amounts to classical free scalar field theory, an assembly of independent oscillators.


Quantum treatment

A one-dimensional quantum mechanical harmonic chain consists of ''N'' identical atoms. This is the simplest quantum mechanical model of a lattice that allows phonons to arise from it. The formalism for this model is readily generalizable to two and three dimensions. In contrast to the previous section, the positions of the masses are not denoted by u_i, but instead by x_1,x_2,\dots as measured from their equilibrium positions. (I.e. x_i=0 if particle i is at its equilibrium position.) In two or more dimensions, the x_i are vector quantities. The
Hamiltonian Hamiltonian may refer to: * Hamiltonian mechanics, a function that represents the total energy of a system * Hamiltonian (quantum mechanics), an operator corresponding to the total energy of that system ** Dyall Hamiltonian, a modified Hamiltonian ...
for this system is :\mathcal = \sum_^N \frac + \frac m\omega^2 \sum_ \left(x_i - x_j\right)^2 where ''m'' is the mass of each atom (assuming it is equal for all), and ''xi'' and ''pi'' are the position and
momentum In Newtonian mechanics, momentum (: momenta or momentums; more specifically linear momentum or translational momentum) is the product of the mass and velocity of an object. It is a vector quantity, possessing a magnitude and a direction. ...
operators, respectively, for the ''i''th atom and the sum is made over the nearest neighbors (nn). However one expects that in a lattice there could also appear waves that behave like particles. It is customary to deal with
wave In physics, mathematics, engineering, and related fields, a wave is a propagating dynamic disturbance (change from List of types of equilibrium, equilibrium) of one or more quantities. ''Periodic waves'' oscillate repeatedly about an equilibrium ...
s in Fourier space which uses normal modes of the wavevector as variables instead of coordinates of particles. The number of normal modes is the same as the number of particles. Still, the Fourier space is very useful given the periodicity of the system. A set of ''N'' "normal coordinates" ''Qk'' may be introduced, defined as the
discrete Fourier transform In mathematics, the discrete Fourier transform (DFT) converts a finite sequence of equally-spaced Sampling (signal processing), samples of a function (mathematics), function into a same-length sequence of equally-spaced samples of the discre ...
s of the ''xk'' and ''N'' "conjugate momenta" ''Πk'' defined as the Fourier transforms of the ''pk'': :\begin Q_k &= \frac\sqrt \sum_ e^ x_l \\ \Pi_ &= \frac\sqrt \sum_ e^ p_l. \end The quantity ''k'' turns out to be the
wavenumber In the physical sciences, the wavenumber (or wave number), also known as repetency, is the spatial frequency of a wave. Ordinary wavenumber is defined as the number of wave cycles divided by length; it is a physical quantity with dimension of ...
of the phonon, i.e. 2 divided by the
wavelength In physics and mathematics, wavelength or spatial period of a wave or periodic function is the distance over which the wave's shape repeats. In other words, it is the distance between consecutive corresponding points of the same ''phase (waves ...
. This choice retains the desired commutation relations in either real space or wavevector space : \begin \left _l , p_m \right=i\hbar\delta_ \\ \left Q_k , \Pi_ \right&=\fracN \sum_ e^ e^ \left _l , p_m \right\\ &= \fracN \sum_ e^ = i\hbar\delta_ \\ \left Q_k , Q_ \right&= \left \Pi_k , \Pi_ \right= 0 \end From the general result : \begin \sum_x_l x_&=\fracN\sum_Q_k Q_\sum_ e^e^= \sum_Q_k Q_e^ \\ \sum_^2 &= \sum_\Pi_k \Pi_ \end The potential energy term is : \tfrac12 m \omega^2 \sum_ \left(x_j - x_\right)^2= \tfrac12 m\omega^2\sum_Q_k Q_(2-e^-e^)= \tfrac12 \sum_m^2Q_k Q_ where :\omega_k = \sqrt = 2\omega\left, \sin\frac2\ The Hamiltonian may be written in wavevector space as :\mathcal = \frac\sum_k \left( \Pi_k\Pi_ + m^2 \omega_k^2 Q_k Q_ \right) The couplings between the position variables have been transformed away; if the ''Q'' and ''Π'' were Hermitian (which they are not), the transformed Hamiltonian would describe ''N'' uncoupled harmonic oscillators. The form of the quantization depends on the choice of boundary conditions; for simplicity, ''periodic'' boundary conditions are imposed, defining the (''N'' + 1)th atom as equivalent to the first atom. Physically, this corresponds to joining the chain at its ends. The resulting quantization is :k=k_n = \frac \quad \mbox n = 0, \pm1, \pm2, \ldots \pm \frac2 .\ The upper bound to ''n'' comes from the minimum wavelength, which is twice the lattice spacing ''a'', as discussed above. The harmonic oscillator eigenvalues or energy levels for the mode ''ωk'' are: :E_n = \left(\tfrac12+n\right)\hbar\omega_k \qquad n=0,1,2,3 \ldots The levels are evenly spaced at: :\tfrac12\hbar\omega , \ \tfrac32\hbar\omega ,\ \tfrac52\hbar\omega \ \cdots where ''ħω'' is the
zero-point energy Zero-point energy (ZPE) is the lowest possible energy that a quantum mechanical system may have. Unlike in classical mechanics, quantum systems constantly Quantum fluctuation, fluctuate in their lowest energy state as described by the Heisen ...
of a quantum harmonic oscillator. An exact amount of
energy Energy () is the physical quantity, quantitative physical property, property that is transferred to a physical body, body or to a physical system, recognizable in the performance of Work (thermodynamics), work and in the form of heat and l ...
''ħω'' must be supplied to the harmonic oscillator lattice to push it to the next energy level. By analogy to the
photon A photon () is an elementary particle that is a quantum of the electromagnetic field, including electromagnetic radiation such as light and radio waves, and the force carrier for the electromagnetic force. Photons are massless particles that can ...
case when the electromagnetic field is quantized, the quantum of vibrational energy is called a phonon. All quantum systems show wavelike and particlelike properties simultaneously. The particle-like properties of the phonon are best understood using the methods of second quantization and operator techniques described later.


Three-dimensional lattice

This may be generalized to a three-dimensional lattice. The wavenumber ''k'' is replaced by a three-dimensional wavevector k. Furthermore, each k is now associated with three normal coordinates. The new indices ''s'' = 1, 2, 3 label the polarization of the phonons. In the one-dimensional model, the atoms were restricted to moving along the line, so the phonons corresponded to longitudinal waves. In three dimensions, vibration is not restricted to the direction of propagation, and can also occur in the perpendicular planes, like transverse waves. This gives rise to the additional normal coordinates, which, as the form of the Hamiltonian indicates, we may view as independent species of phonons.


Dispersion relation

For a one-dimensional alternating array of two types of ion or atom of mass ''m''1, ''m''2 repeated periodically at a distance ''a'', connected by springs of spring constant ''K'', two modes of vibration result: :\omega_\pm^2 = K\left(\frac +\frac\right) \pm K \sqrt , where ''k'' is the wavevector of the vibration related to its wavelength by k = \tfrac. The connection between frequency and wavevector, ''ω'' = ''ω''(''k''), is known as a dispersion relation. The plus sign results in the so-called ''optical'' mode, and the minus sign to the ''acoustic'' mode. In the optical mode two adjacent different atoms move against each other, while in the acoustic mode they move together. The speed of propagation of an acoustic phonon, which is also the
speed of sound The speed of sound is the distance travelled per unit of time by a sound wave as it propagates through an elasticity (solid mechanics), elastic medium. More simply, the speed of sound is how fast vibrations travel. At , the speed of sound in a ...
in the lattice, is given by the slope of the acoustic dispersion relation, (see
group velocity The group velocity of a wave is the velocity with which the overall envelope shape of the wave's amplitudes—known as the ''modulation'' or ''envelope (waves), envelope'' of the wave—propagates through space. For example, if a stone is thro ...
.) At low values of ''k'' (i.e. long wavelengths), the dispersion relation is almost linear, and the speed of sound is approximately ''ωa'', independent of the phonon frequency. As a result, packets of phonons with different (but long) wavelengths can propagate for large distances across the lattice without breaking apart. This is the reason that sound propagates through solids without significant distortion. This behavior fails at large values of ''k'', i.e. short wavelengths, due to the microscopic details of the lattice. For a crystal that has at least two atoms in its primitive cell, the dispersion relations exhibit two types of phonons, namely, optical and acoustic modes corresponding to the upper blue and lower red curve in the diagram, respectively. The vertical axis is the energy or frequency of phonon, while the horizontal axis is the wavevector. The boundaries at − and are those of the first Brillouin zone. A crystal with ''N'' ≥ 2 different atoms in the primitive cell exhibits three acoustic modes: one longitudinal acoustic mode and two transverse acoustic modes. The number of optical modes is 3''N'' – 3. The lower figure shows the dispersion relations for several phonon modes in GaAs as a function of wavevector k in the principal directions of its Brillouin zone. The modes are also referred to as the branches of phonon dispersion. In general, if there are p atoms (denoted by N earlier) in the primitive unit cell, there will be 3p branches of phonon dispersion in a 3-dimensional crystal. Out of these, 3 branches correspond to acoustic modes and the remaining 3p-3 branches will correspond to optical modes. In some special directions, some branches coincide due to symmetry. These branches are called degenerate. In acoustic modes, all the p atoms vibrate in phase. So there is no change in the relative displacements of these atoms during the wave propagation. Study of phonon dispersion is useful for modeling propagation of sound waves in solids, which is characterized by phonons. The energy of each phonon, as given earlier, is ''ħω.'' The velocity of the wave also is given in terms of ''ω'' and k ''.'' The direction of the wave vector is the direction of the wave propagation and the phonon polarization vector gives the direction in which the atoms vibrate. Actually, in general, the wave velocity in a crystal is different for different directions of k. In other words, most crystals are anisotropic for phonon propagation. A wave is longitudinal if the atoms vibrate in the same direction as the wave propagation. In a transverse wave, the atoms vibrate perpendicular to the wave propagation. However, except for isotropic crystals, waves in a crystal are not exactly longitudinal or transverse. For general anisotropic crystals, the phonon waves are longitudinal or transverse only in certain special symmetry directions. In other directions, they can be nearly longitudinal or nearly transverse. It is only for labeling convenience, that they are often called longitudinal or transverse but are actually quasi-longitudinal or quasi-transverse. Note that in the three-dimensional case, there are two directions perpendicular to a straight line at each point on the line. Hence, there are always two (quasi) transverse waves for each (quasi) longitudinal wave. Many phonon dispersion curves have been measured by inelastic neutron scattering. The physics of sound in
fluid In physics, a fluid is a liquid, gas, or other material that may continuously motion, move and Deformation (physics), deform (''flow'') under an applied shear stress, or external force. They have zero shear modulus, or, in simpler terms, are M ...
s differs from the physics of sound in solids, although both are density waves: sound waves in fluids only have longitudinal components, whereas sound waves in solids have longitudinal and transverse components. This is because fluids cannot support
shear stress Shear stress (often denoted by , Greek alphabet, Greek: tau) is the component of stress (physics), stress coplanar with a material cross section. It arises from the shear force, the component of force vector parallel to the material cross secti ...
es (but see
viscoelastic In materials science and continuum mechanics, viscoelasticity is the property of materials that exhibit both Viscosity, viscous and Elasticity (physics), elastic characteristics when undergoing deformation (engineering), deformation. Viscous mate ...
fluids, which only apply to high frequencies).


Interpretation of phonons using second quantization techniques

The above-derived Hamiltonian may look like a classical Hamiltonian function, but if it is interpreted as an operator, then it describes a
quantum field theory In theoretical physics, quantum field theory (QFT) is a theoretical framework that combines Field theory (physics), field theory and the principle of relativity with ideas behind quantum mechanics. QFT is used in particle physics to construct phy ...
of non-interacting
boson In particle physics, a boson ( ) is a subatomic particle whose spin quantum number has an integer value (0, 1, 2, ...). Bosons form one of the two fundamental classes of subatomic particle, the other being fermions, which have half odd-intege ...
s. The second quantization technique, similar to the ladder operator method used for quantum harmonic oscillators, is a means of extracting energy eigenvalues without directly solving the differential equations. Given the Hamiltonian, \mathcal, as well as the conjugate position, Q_k, and conjugate momentum \Pi_ defined in the quantum treatment section above, we can define
creation and annihilation operators Creation operators and annihilation operators are Operator (mathematics), mathematical operators that have widespread applications in quantum mechanics, notably in the study of quantum harmonic oscillators and many-particle systems. An annihilatio ...
: :b_k=\sqrt\frac\left(Q_k+\frac\Pi_\right)   and   ^\dagger=\sqrt\frac\left(Q_-\frac\Pi_\right) The following commutators can be easily obtained by substituting in the canonical commutation relation: :\left _k , ^\dagger \right= \delta_ ,\quad \Big _k , b_ \Big= \left \dagger , ^\dagger \right= 0 Using this, the operators ''bk'' and ''bk'' can be inverted to redefine the conjugate position and momentum as: :Q_k=\sqrt\left(^\dagger+b_\right)   and   \Pi_k=i\sqrt\left(^\dagger-b_\right) Directly substituting these definitions for Q_k and \Pi_k into the wavevector space Hamiltonian, as it is defined above, and simplifying then results in the Hamiltonian taking the form: :\mathcal =\sum_k \hbar\omega_k \left(^\dagger b_k+\tfrac12\right) This is known as the second quantization technique, also known as the occupation number formulation, where ''nk'' = ''bk''''bk'' is the occupation number. This can be seen to be a sum of N independent oscillator Hamiltonians, each with a unique wave vector, and compatible with the methods used for the quantum harmonic oscillator (note that ''nk'' is hermitian). When a Hamiltonian can be written as a sum of commuting sub-Hamiltonians, the energy eigenstates will be given by the products of eigenstates of each of the separate sub-Hamiltonians. The corresponding
energy Energy () is the physical quantity, quantitative physical property, property that is transferred to a physical body, body or to a physical system, recognizable in the performance of Work (thermodynamics), work and in the form of heat and l ...
spectrum A spectrum (: spectra or spectrums) is a set of related ideas, objects, or properties whose features overlap such that they blend to form a continuum. The word ''spectrum'' was first used scientifically in optics to describe the rainbow of co ...
is then given by the sum of the individual eigenvalues of the sub-Hamiltonians. As with the quantum harmonic oscillator, one can show that ''bk'' and ''bk'' respectively create and destroy a single field excitation, a phonon, with an energy of ''ħωk''. Three important properties of phonons may be deduced from this technique. First, phonons are
boson In particle physics, a boson ( ) is a subatomic particle whose spin quantum number has an integer value (0, 1, 2, ...). Bosons form one of the two fundamental classes of subatomic particle, the other being fermions, which have half odd-intege ...
s, since any number of identical excitations can be created by repeated application of the creation operator ''bk''. Second, each phonon is a "collective mode" caused by the motion of every atom in the lattice. This may be seen from the fact that the creation and annihilation operators, defined here in momentum space, contain sums over the position and momentum operators of every atom when written in position space. (See position and momentum space.) Finally, using the ''position–position correlation function'', it can be shown that phonons act as waves of lattice displacement. This technique is readily generalized to three dimensions, where the Hamiltonian takes the form: :\mathcal = \sum_k \sum_^3 \hbar \, \omega_ \left( ^\dagger b_ + \tfrac12 \right). This can be interpreted as the sum of 3N independent oscillator Hamiltonians, one for each wave vector and polarization.


Acoustic and optical phonons

Solids with more than one atom in the smallest unit cell exhibit two types of phonons: acoustic phonons and optical phonons. Acoustic phonons are coherent movements of atoms of the lattice out of their equilibrium positions. If the displacement is in the direction of propagation, then in some areas the atoms will be closer, in others farther apart, as in a sound wave in air (hence the name acoustic). Displacement perpendicular to the propagation direction is comparable to waves on a string. If the wavelength of acoustic phonons goes to infinity, this corresponds to a simple displacement of the whole crystal, and this costs zero deformation energy. Acoustic phonons exhibit a linear relationship between frequency and phonon wave-vector for long wavelengths. The frequencies of acoustic phonons tend to zero with longer wavelength. Longitudinal and transverse acoustic phonons are often abbreviated as LA and TA phonons, respectively. Optical phonons are out-of-phase movements of the atoms in the lattice, one atom moving to the left, and its neighbor to the right. This occurs if the lattice basis consists of two or more atoms. They are called ''optical'' because in ionic crystals, such as
sodium chloride Sodium chloride , commonly known as Salt#Edible salt, edible salt, is an ionic compound with the chemical formula NaCl, representing a 1:1 ratio of sodium and chloride ions. It is transparent or translucent, brittle, hygroscopic, and occurs a ...
, fluctuations in displacement create an electrical polarization that couples to the electromagnetic field. Hence, they can be excited by
infrared radiation Infrared (IR; sometimes called infrared light) is electromagnetic radiation (EMR) with wavelengths longer than that of visible light but shorter than microwaves. The infrared spectral band begins with the waves that are just longer than those ...
, the electric field of the light will move every positive sodium ion in the direction of the field, and every negative chloride ion in the other direction, causing the crystal to vibrate. Optical phonons have a non-zero frequency at the Brillouin zone center and show no dispersion near that long wavelength limit. This is because they correspond to a mode of vibration where positive and negative ions at adjacent lattice sites swing against each other, creating a time-varying electrical dipole moment. Optical phonons that interact in this way with light are called ''infrared active''. Optical phonons that are ''Raman active'' can also interact indirectly with light, through Raman scattering. Optical phonons are often abbreviated as LO and TO phonons, for the longitudinal and transverse modes respectively; the splitting between LO and TO frequencies is often described accurately by the Lyddane–Sachs–Teller relation. When measuring optical phonon energy experimentally, optical phonon frequencies are sometimes given in spectroscopic
wavenumber In the physical sciences, the wavenumber (or wave number), also known as repetency, is the spatial frequency of a wave. Ordinary wavenumber is defined as the number of wave cycles divided by length; it is a physical quantity with dimension of ...
notation, where the symbol ''ω'' represents ordinary frequency (not angular frequency), and is expressed in units of cm−1. The value is obtained by dividing the frequency by the speed of light in vacuum. In other words, the wave-number in cm−1 units corresponds to the inverse of the
wavelength In physics and mathematics, wavelength or spatial period of a wave or periodic function is the distance over which the wave's shape repeats. In other words, it is the distance between consecutive corresponding points of the same ''phase (waves ...
of a
photon A photon () is an elementary particle that is a quantum of the electromagnetic field, including electromagnetic radiation such as light and radio waves, and the force carrier for the electromagnetic force. Photons are massless particles that can ...
in vacuum that has the same frequency as the measured phonon.


Crystal momentum

By analogy to
photon A photon () is an elementary particle that is a quantum of the electromagnetic field, including electromagnetic radiation such as light and radio waves, and the force carrier for the electromagnetic force. Photons are massless particles that can ...
s and matter waves, phonons have been treated with wavevector ''k'' as though it has a
momentum In Newtonian mechanics, momentum (: momenta or momentums; more specifically linear momentum or translational momentum) is the product of the mass and velocity of an object. It is a vector quantity, possessing a magnitude and a direction. ...
''ħk''; however, this is not strictly correct, because ''ħk'' is not actually a physical momentum; it is called the ''crystal momentum'' or ''pseudomomentum''. This is because ''k'' is only determined up to addition of constant vectors (the
reciprocal lattice vector Reciprocal lattice is a concept associated with solids with translational symmetry which plays a major role in many areas such as X-ray and electron diffraction as well as the energies of electrons in a solid. It emerges from the Fourier tran ...
s and integer multiples thereof). For example, in the one-dimensional model, the normal coordinates ''Q'' and ''Π'' are defined so that :Q_k \stackrel Q_ ;\quad \Pi_k \stackrel \Pi_ where :K = \frac for any integer ''n''. A phonon with wavenumber ''k'' is thus equivalent to an infinite family of phonons with wavenumbers ''k'' ± , ''k'' ± , and so forth. Physically, the reciprocal lattice vectors act as additional chunks of momentum which the lattice can impart to the phonon. Bloch electrons obey a similar set of restrictions. It is usually convenient to consider phonon wavevectors ''k'' which have the smallest magnitude , ''k'', in their "family". The set of all such wavevectors defines the ''first Brillouin zone''. Additional Brillouin zones may be defined as copies of the first zone, shifted by some reciprocal lattice vector.


Thermodynamics

The thermodynamic properties of a solid are directly related to its phonon structure. The entire set of all possible phonons that are described by the phonon dispersion relations combine in what is known as the phonon density of states which determines the heat capacity of a crystal. By the nature of this distribution, the heat capacity is dominated by the high-frequency part of the distribution, while thermal conductivity is primarily the result of the low-frequency region. At
absolute zero Absolute zero is the lowest possible temperature, a state at which a system's internal energy, and in ideal cases entropy, reach their minimum values. The absolute zero is defined as 0 K on the Kelvin scale, equivalent to −273.15 ° ...
temperature, a crystal lattice lies in its ground state, and contains no phonons. A lattice at a nonzero
temperature Temperature is a physical quantity that quantitatively expresses the attribute of hotness or coldness. Temperature is measurement, measured with a thermometer. It reflects the average kinetic energy of the vibrating and colliding atoms making ...
has an energy that is not constant, but fluctuates randomly about some
mean value A mean is a quantity representing the "center" of a collection of numbers and is intermediate to the extreme values of the set of numbers. There are several kinds of means (or "measures of central tendency") in mathematics, especially in statist ...
. These energy fluctuations are caused by random lattice vibrations, which can be viewed as a gas of phonons. Because these phonons are generated by the temperature of the lattice, they are sometimes designated thermal phonons. Thermal phonons can be created and destroyed by random energy fluctuations. In the language of statistical mechanics this means that the chemical potential for adding a phonon is zero. This behavior is an extension of the harmonic potential into the anharmonic regime. The behavior of thermal phonons is similar to the photon gas produced by an electromagnetic cavity, wherein photons may be emitted or absorbed by the cavity walls. This similarity is not coincidental, for it turns out that the electromagnetic field behaves like a set of harmonic oscillators, giving rise to black-body radiation. Both gases obey the Bose–Einstein statistics: in thermal equilibrium and within the harmonic regime, the probability of finding phonons or photons in a given state with a given angular frequency is: :n\left(\omega_\right) = \frac where ''ω''''k'',''s'' is the frequency of the phonons (or photons) in the state, ''k''B is the
Boltzmann constant The Boltzmann constant ( or ) is the proportionality factor that relates the average relative thermal energy of particles in a ideal gas, gas with the thermodynamic temperature of the gas. It occurs in the definitions of the kelvin (K) and the ...
, and ''T'' is the temperature.


Phonon tunneling

Phonons have been shown to exhibit quantum tunneling behavior (or ''phonon tunneling'') where, across gaps up to a nanometer wide, heat can flow via phonons that "tunnel" between two materials. This type of heat transfer works between distances too large for conduction to occur but too small for
radiation In physics, radiation is the emission or transmission of energy in the form of waves or particles through space or a material medium. This includes: * ''electromagnetic radiation'' consisting of photons, such as radio waves, microwaves, infr ...
to occur and therefore cannot be explained by classical
heat transfer Heat transfer is a discipline of thermal engineering that concerns the generation, use, conversion, and exchange of thermal energy (heat) between physical systems. Heat transfer is classified into various mechanisms, such as thermal conduction, ...
models.


Operator formalism

The phonon Hamiltonian is given by :\mathcal = \tfrac12 \sum_\alpha\left(p_\alpha^2 + \omega^2_\alpha q_\alpha^2 - \hbar\omega_\alpha\right) In terms of the
creation and annihilation operators Creation operators and annihilation operators are Operator (mathematics), mathematical operators that have widespread applications in quantum mechanics, notably in the study of quantum harmonic oscillators and many-particle systems. An annihilatio ...
, these are given by :\mathcal = \sum_\alpha\hbar\omega_\alpha ^\dagger a_\alpha Here, in expressing the
Hamiltonian Hamiltonian may refer to: * Hamiltonian mechanics, a function that represents the total energy of a system * Hamiltonian (quantum mechanics), an operator corresponding to the total energy of that system ** Dyall Hamiltonian, a modified Hamiltonian ...
in operator formalism, we have not taken into account the ''ħωq'' term as, given a continuum or infinite lattice, the ''ħωq'' terms will add up yielding an infinite term. Because the difference in energy is what we measure and not the absolute value of it, the constant term ''ħωq'' can be ignored without changing the equations of motion. Hence, the ''ħωq'' factor is absent in the operator formalized expression for the
Hamiltonian Hamiltonian may refer to: * Hamiltonian mechanics, a function that represents the total energy of a system * Hamiltonian (quantum mechanics), an operator corresponding to the total energy of that system ** Dyall Hamiltonian, a modified Hamiltonian ...
. The ground state, also called the " vacuum state", is the state composed of no phonons. Hence, the energy of the ground state is 0. When a system is in the state , we say there are ''nα'' phonons of type ''α'', where ''nα'' is the occupation number of the phonons. The energy of a single phonon of type ''α'' is given by ''ħωq'' and the total energy of a general phonon system is given by ''n''1''ħω''1 + ''n''2''ħω''2 +.... As there are no cross terms (e.g. ''n''1''ħω''2), the phonons are said to be non-interacting. The action of the creation and annihilation operators is given by: :^\dagger\Big, n_1\ldots n_n_\alpha n_\ldots\Big\rangle = \sqrt\Big, n_1\ldots,n_, (n_\alpha+1), n_\ldots\Big\rangle and, :a_\alpha\Big, n_1\ldots n_n_\alpha n_\ldots\Big\rangle = \sqrt\Big, n_1\ldots,n_,(n_\alpha-1),n_,\ldots\Big\rangle The creation operator, ''aα'' creates a phonon of type ''α'' while ''aα'' annihilates one. Hence, they are respectively the creation and annihilation operators for phonons. Analogous to the quantum harmonic oscillator case, we can define particle number operator as :N = \sum_\alpha ^\dagger a_\alpha. The number operator commutes with a string of products of the creation and annihilation operators if and only if the number of creation operators is equal to number of annihilation operators. It can be shown that phonons are symmetric under exchange (i.e.  = ), so therefore they are considered bosons.


Nonlinearity

As well as photons, phonons can interact via parametric down conversion and form squeezed coherent states.


Predicted properties

Recent research has shown that phonons and rotons may have a non-negligible mass and be affected by gravity just as standard particles are. In particular, phonons are predicted to have a kind of negative mass and negative gravity. This can be explained by how phonons are known to travel faster in denser materials. Because the part of a material pointing towards a gravitational source is closer to the object, it becomes denser on that end. From this, it is predicted that phonons would deflect away as it detects the difference in densities, exhibiting the qualities of a negative gravitational field. Although the effect would be too small to measure, it is possible that future equipment could lead to successful results.


Superconductivity

Superconductivity is a state of electronic matter in which
electrical resistance The electrical resistance of an object is a measure of its opposition to the flow of electric current. Its reciprocal quantity is , measuring the ease with which an electric current passes. Electrical resistance shares some conceptual paral ...
vanishes and
magnetic field A magnetic field (sometimes called B-field) is a physical field that describes the magnetic influence on moving electric charges, electric currents, and magnetic materials. A moving charge in a magnetic field experiences a force perpendicular ...
s are expelled from the material. In a superconductor, electrons are bound together into Cooper pairs by a weak attractive force. In a conventional superconductor, this attraction is caused by an exchange of phonons between the electrons. The evidence that phonons, the vibrations of the ionic lattice, are relevant for superconductivity is provided by the isotope effect, the dependence of the superconducting critical temperature on the mass of the ions.


Other research

In 2019, researchers were able to isolate individual phonons without destroying them for the first time. They have been also shown to form “phonon winds” where an electric current in a graphene surface is generated by a liquid flow above it due to the viscous forces at the liquid–solid interface.


See also

*
Boson In particle physics, a boson ( ) is a subatomic particle whose spin quantum number has an integer value (0, 1, 2, ...). Bosons form one of the two fundamental classes of subatomic particle, the other being fermions, which have half odd-intege ...
* Brillouin scattering * Fracton *
Linear elasticity Linear elasticity is a mathematical model of how solid objects deform and become internally stressed by prescribed loading conditions. It is a simplification of the more general nonlinear theory of elasticity and a branch of continuum mechani ...
* Mechanical wave * Phonon scattering * Carrier scattering * Phononic crystal *
Rayleigh wave Rayleigh waves are a type of surface acoustic wave that travel along the surface of solids. They can be produced in materials in many ways, such as by a localized impact or by Piezoelectricity, piezo-electric Interdigital transducer, transduction, ...
* Relativistic heat conduction * Rigid unit modes * SASER * Second sound * Surface acoustic wave * Surface phonon *
Thermal conductivity The thermal conductivity of a material is a measure of its ability to heat conduction, conduct heat. It is commonly denoted by k, \lambda, or \kappa and is measured in W·m−1·K−1. Heat transfer occurs at a lower rate in materials of low ...
*
Vibration Vibration () is a mechanical phenomenon whereby oscillations occur about an equilibrium point. Vibration may be deterministic if the oscillations can be characterised precisely (e.g. the periodic motion of a pendulum), or random if the os ...


References


Further reading

* * * Chapters 2226 * Chapters 4 & 5 *


External links

* *
Optical and acoustic modes
{{Authority control Quasiparticles Bosons 1932 introductions