Alternating-spring chain dispersion relation 2026-10-03
For equal masses separated by and alternating spring constants and , the primitive-cell length is and the two branches areThe minus and plus signs give the acoustic phonon branch and optical phonon branch, respectively.
Diatomic-chain dispersion relation with equal springs Created 2026-10-18 Updated 2026-10-20
For alternating masses at spacing , equal nearest-neighbour spring constants , and cell length , a two-component normal mode givesThe minus sign is the acoustic phonon branch and the plus sign is the optical phonon branch. For the edge frequencies are and , leaving a gap. At they are zero and .
Optical phonon 2026-10-20
An optical phonon is a quantum of vibration on an optical phonon branch, involving relative motion of atoms within a primitive cell. Its zone-center frequency can remain nonzero. Some such modes couple strongly to light when the relative displacement changes electric polarization; the name does not imply that every optical phonon is optically active. Their finite energies produce thresholds for electron emission and thermally suppressed absorption at low temperature.
Past exam of the condensed matter physics course of the University of Oxford 2016 4 a Solution 2026-10-25
Inelastic neutron scattering measures both momentum and energy exchanged with the crystal. Comparing incident and outgoing neutron wavevectors gives , while their energy difference gives a created or annihilated phonon energy . Crystal momentum conservation identifies the reduced phonon wavevector modulo a reciprocal-lattice vector. Varying scattering geometry maps dispersion curves and polarization-dependent intensities across a substantial part of the Brillouin zone.
Inelastic X-ray scattering provides a complementary energy- and momentum-resolved probe, particularly when small samples or high-pressure environments favor photon beams. Raman and infrared spectroscopy measure optical-frequency resonances subject to different symmetry selection rules. Photon momentum at these frequencies is usually small on the Brillouin-zone scale, so these methods mostly sample near the zone center rather than an arbitrary phonon wavevector. Brillouin scattering and ultrasonic measurements probe low-frequency acoustic motion and infer sound velocities or elastic constants.
Heat-capacity measurements constrain the thermally weighted vibrational density of states and its low-frequency behavior, but do not by themselves reconstruct a unique wavevector-resolved dispersion. Elastic diffraction and temperature-dependent displacement factors also constrain mean-square motion, while energy-resolved inelastic measurements distinguish individual excitations directly. A monatomic scalar chain has only the acoustic branch derived below; it should not be assigned an optical branch merely because Raman spectroscopy exists for more complicated crystals.
Past exam of the condensed matter physics course of the University of Oxford 2021 2 e Solution 2026-10-25
In the diamond cubic structure of silicon, the longitudinal acoustic phonon branch and longitudinal optical phonon branch meet at . The two atomic basis sites are identical, and the associated crystal symmetry protects their boundary degeneracy of normal modes. In aluminium phosphide, the two sites contain different chemical atoms. The corresponding zinc blende structure lacks the site-exchange symmetry, and these two longitudinal branches generally split at .
A simple way to see the splitting is a diatomic-chain dispersion relation with equal springs, representing successive atomic planes by alternating masses at spacing . With effective spring constant , its angular frequencies obeyAt , , so the inter-sublattice coupling cancels and the two squared angular frequencies are and . Equal masses give a contact; unequal masses giveIn aluminium phosphide, the heavier phosphorus plane moves in the lower-frequency edge mode, and the lighter aluminium plane in the higher-frequency mode in this model. Their similar atomic masses explain why the splitting is relatively small. Different electronic environments can also change the force constant matrix. The chain calculation illustrates the mechanism; a quantitative three-dimensional phonon spectrum requires its full dynamical matrix. It does not assert that all transverse acoustic and optical branches meet in silicon.
A phonon is one quantum of a normal vibrational mode of a crystal. In the harmonic approximation, each mode with wavevector , branch index and angular frequency is an oscillator with energies . A phonon changes the occupation by one; it is not a particular atom moving through the solid.
For a three-dimensional primitive cell containing atoms there are branches. Three acoustic branches approach zero frequency as : at zero wavevector they represent rigid translations, with all basis atoms displaced together. Their small-wavevector frequencies usually grow linearly with wavevector. The remaining optical branches have internal relative motion of basis atoms and generally nonzero zone-centre frequencies. The names reflect their coupling to radiation in suitable polar crystals, not a rule that every optical mode must be infrared active. Acoustic and optical branches can each have longitudinal or transverse polarizations.
At the zone centre, the dynamical matrix commutes with the point-group representation on displacements. An irreducible representation of dimension two enforces a doublet; distinct one-dimensional representations need not have equal frequencies. The tetragonal point group has two-dimensional and representations, so optical modes transforming that way are doubly degenerate at the centre. Atomic positions and the displacement representation would be needed to assign every optical branch to a particular representation; the point-group label alone is not a complete mode decomposition.
For propagation along the tetragonal fourfold axis, the two transverse acoustic polarizations transform together and have equal sound speeds and frequencies. For example , whereas the longitudinal speed is independent. An optical doublet may split away from the centre along a direction whose little group has only one-dimensional representations. It need not remain degenerate at every nearby wavevector.
All irreducible representations of are one-dimensional, so the orthorhombic point group enforces no analogous optical doublet or equality of transverse sound speeds. The three acoustic frequencies are nevertheless all zero at the exact centre in both crystals, because of translations; that common zero is not evidence that their slopes are equal. Accidental equalities remain possible. For a polar crystal, a direction-dependent macroscopic electric field also distinguishes longitudinal from transverse infrared-active limits; an analytic zone-centre symmetry classification alone does not remove LO–TO splitting.
The primitive unit cell contains two carbon atoms and four edge-shared oxygen atoms, each contributing one half: atoms. Equivalently, one molecular repeat contributes its two carbon atoms but only half of each of its four shared oxygen atoms. There are therefore phonon branches.
At the Brillouin zone centre, three rigid translations give three acoustic phonon branches; the remaining are optical phonon branches:A free layer has two in-plane acoustic modes and an out-of-plane flexural acoustic mode. A two-dimensional lattice does not imply that its atoms can move only in two directions. Artificially suppressing all out-of-plane motion would instead define a different model with two acoustic and six optical branches.
Past exam of the mathematics course of the University of Cambridge 2018 ii Paper 2 35A Solution Created 2026-09-24 Updated 2026-10-14
Label the two atoms in primitive cell by and , with understood modulo because of the periodic boundary condition. Choose the spring between them to have constant . Newton's second law gives
For a longitudinal normal mode, putPeriodicity requires , so . Since the primitive-cell length is , wavevectors differing by describe the same mode, and the first Brillouin zone may be chosen asThe amplitudes obeySetting its determinant to zero gives the alternating-spring chain dispersion relationThe lower sign is the acoustic phonon branch and the upper sign is the optical phonon branch.
At the edge of the Brillouin zone,so the frequency band gap isIt vanishes at , when the apparent two-atom primitive cell can be reduced to one atom.
Near the centre of the Brillouin zone, a Taylor expansion givesandThe group velocity of the acoustic branch at long wavelength is the speed of sound,
Dispersion relation of the alternating-spring chain
. The acoustic and optical branches for alpha equal to 0.35. The vertical separation at the Brillouin-zone edge is the frequency gap. Details. Past exam of the physics A course of the University of Cambridge 2012 Paper 2 Section A 4 Solution 2026-10-20
At long wavelength, the acoustic phonon branch moves the two atoms in a cell nearly in phase: . In the limit this is rigid translation and . The optical phonon branch moves them oppositely, with stationary cell centre of mass: . Its frequency is finite because adjacent unlike atoms change their separation. For unequal masses the lighter atom has the larger optical displacement. Three-dimensional crystals have three acoustic branches and, with two atoms per primitive cell, three optical branches; longitudinal and transverse directions describe displacement relative to the wavevector. The name optical does not mean that every optical phonon branch is infrared-active: coupling also depends on effective charges and symmetry.
Original long-wavelength acoustic and optical displacement sketches for unequal masses, with optical centre-of-mass cancellation
. Details. The minus solution is the acoustic phonon branch. As , tends to zero and : adjacent atoms move together in a long-wavelength compression. The plus solution is the optical phonon branch, with nonzero zone-centre frequency and : the two sublattices move against one another with fixed cell centre of mass. For oppositely charged ions, this relative displacement can couple to an electric field, motivating the optical name.
At the zone boundary the frequencies are and . Different masses produce a gap; equal masses make the two branches meet, recovering a folded monatomic dispersion.
The Debye model treats a solid's low-frequency lattice vibrations as acoustic phonons in an elastic continuum. There are three polarizations per wavevector, one longitudinal and two transverse, with approximately linear dispersion relations. A cutoff is chosen to preserve the total vibrational modes of atoms. The phonon number itself is not fixed; mode occupations follow the Bose-Einstein distribution with zero chemical potential.
For one polarization of speed , counting wavevector states in a spherical shell gives . Define an average Debye speed by . The total density of states can then be writtenThe Debye wavevector is , the Debye frequency is , and the Debye temperature is .
Omitting the temperature-independent zero-point energy, the vibrational energy and resulting Debye heat capacity areAt low temperature the upper limit can be extended to infinity. The integral is , givingOnly the long-wavelength acoustic modes are appreciably populated, explaining the Debye T-cubed test. At high temperature every mode contributes by equipartition theorem, so , the Dulong-Petit law.
The model succeeds especially at low temperature, where long-wavelength elasticity is reliable. It replaces real anisotropic branches by a simple continuum and cannot reproduce detailed optical phonon branches or every intermediate-temperature feature. Metals also have an electronic heat capacity approximately proportional to ; defects, magnetic excitations or a phase transition can add other terms. Experiments often measure heat capacity at constant pressure, which need not equal the harmonic model's exactly.
Past exam of the physics A course of the University of Cambridge 2018 Paper 2 Section A A4 Solution 2026-10-18
Take nearest-neighbour separation , a common spring constant , and one scalar displacement per atom. For a monatomic chain, the harmonic approximation near a potential minimum, Newton's second law and a normal mode giveThe monatomic-chain dispersion relation has one acoustic phonon branch, with near the origin. The first Brillouin zone ends at , where and the group velocity vanishes.
For alternating masses , choose a two-atom cell of length . The coupled normal modes give the diatomic-chain dispersion relation with equal springs,The first Brillouin zone now ends at . The minus branch is the acoustic phonon branch; its two atoms move together at long wavelength. The plus branch is the optical phonon branch; at the atoms move oppositely with a stationary centre of mass and . For the edge frequencies are and , with a gap between them.
If , the two branches reduce to and , touching at . This is zone folding in an equal-mass diatomic chain: identical sites actually have a primitive unit cell of length . A doubled cell folds the monatomic branch but opens no gap. Equal masses alone do not specify all possible spring models; the sketches assume equal nearest-neighbour spring constants.
Past exam of the physics A course of the University of Cambridge 2021 Paper 2 Section D D9 b Solution Created 2026-10-18 Updated 2026-10-20
The Debye model approximates a three-dimensional crystal as an elastic continuum supporting quantized normal modes, or phonons. At long wavelengths, the acoustic phonon branches have approximately linear dispersion relations : one longitudinal branch and two transverse branches. Replace their complicated actual spectra by these linear forms, then introduce a cutoff chosen to preserve the total vibrational degrees of freedom for atoms. This is an approximation to the spectrum, not a claim that a real crystal has no non-acoustic branches.
For periodic boundary conditions in volume , each allowed wavevector occupies in the space of wavevectors. Counting a spherical shell for each branch gives the density of states per unit angular frequencyAn effective speed of sound can be defined by . In the single-speed Debye model, choose so thatThus the Debye wavevector, Debye frequency and Debye temperature satisfyHere has units of seconds when angular frequency is measured in ; its integral is the dimensionless number of normal modes. The spherical cutoff replaces the real Brillouin zone by an equal-count continuum construction.
Each phonon mode is a quantum harmonic oscillator. Since phonon number is not conserved at thermal equilibrium, the chemical potential is zero and its Bose-Einstein distribution gives mean thermal energy . The zero-point energy is independent of temperature in the harmonic, fixed-volume approximation and does not contribute to the heat capacity at constant volume. Excluding that constant term,Differentiating the first integral at fixed volume avoids losing the temperature-dependent upper limit in the second one. The resulting Debye heat capacity isFor , extend the upper limit to infinity. Expanding and integrating term by term gives . ThereforeThis law follows from the three-dimensional density of states and the availability only of low-frequency modes at low temperature. It is a central success of the Debye model.
For , the Bose-Einstein distribution reduces to the classical equipartition theorem: every mode contributes thermal energy . Consequentlythe Dulong-Petit law, or per mole of atoms. The simple model omits detailed phonon dispersion relation, distinct optical phonon branches, and anharmonic effects such as thermal expansion. In a metal, the low-temperature total heat capacity additionally contains a term approximately proportional to from electrons, so the lattice term should not be mistaken for the whole measurement.
To determine a crystal structure, scatter probes whose wavelength is comparable to atomic spacings, typically . X-ray diffraction, neutron diffraction and electron diffraction probe periodic order through coherent elastic scattering. With incident and outgoing wavevectors , define . Elastic scattering has and constructive interference occurs when , a reciprocal lattice vector. The equivalent Bragg's law iswhere the detector scattering angle is , not . Peak positions reveal plane spacings and the unit cell; systematic absent reflections constrain centring and the atomic basis.
For X-ray diffraction, a laboratory tube or a synchrotron supplies a collimated beam. In a monochromatic single-crystal experiment a goniometer rotates the specimen and an area detector records reflection positions and integrated wave intensities. A powder experiment uses many randomly oriented crystallites; the reflections form cones recorded as rings or peaks versus , permitting indexing and determination of lattice constants without selecting one crystallite. For a cubic cell, for example, . The white-beam Laue method is especially useful for crystal orientation.
The crystal basis structure factor isafter geometric and thermal corrections, including the Debye–Waller factor. For X-rays, describes scattering from the atomic electron density. Thus positions provide lattice geometry while relative wave intensities constrain atomic positions and species. Wave intensities do not directly give the phases of : structure refinement or other constraints must address the phase problem.
Neutron diffraction uses a reactor or spallation source, wavelength selection and a detector bank or time-of-flight detection. Neutrons interact with nuclei through nuclear scattering lengths that vary between elements and isotopes rather than simply with atomic number. This makes them useful for light atoms, isotope contrast and distinguishing some neighbours in the periodic table; their magnetic interaction also probes magnetic order. Electron diffraction in a transmission electron microscope gives strong signals from very small thin crystallites, although strong multiple scattering often complicates quantitative wave intensity analysis. These techniques complement one another.
A phonon dispersion relation requires both momentum and energy transfer, so elastic diffraction alone is insufficient. In coherent inelastic neutron scattering, the measured transfers for phonon creation areHere is the phonon wavevector reduced into a Brillouin zone, and labels an acoustic phonon branch or optical phonon branch. Negative energy transfer corresponds to annihilating an already occupied phonon. For neutrons , so wavelength and energy selection are linked. Typical thermal-neutron energies of a few to tens of millielectronvolts ( electronvolts) are well matched to many lattice vibrations.
A triple-axis spectrometer uses a monochromator crystal to select , the sample as the second scattering axis, and an analyser crystal to select before detection. Rotate these elements and the specimen to hold fixed while scanning ; inelastic peaks locate . Repeat at different along symmetry directions to map the phonon dispersion relation. The dynamic structure factor governs peak weights, including the selection of phonon polarization by the scattering geometry. A time-of-flight spectrometer instead infers outgoing neutron energy from travel time over a known flight path and records many directions simultaneously.
Inelastic X-ray scattering can also resolve phonons when very high energy resolution is available. Optical Raman scattering and Brillouin scattering measure vibrations near the zone centre because photon momentum transfers are small compared with a typical reciprocal lattice spacing; they complement, rather than generally map the entire zone like, momentum-resolved neutron measurements. Ultrasound measurements give the long-wavelength sound speed, the initial slope of an acoustic phonon branch.
Past exam of the quantum condensed matter course of the University of Cambridge 2017 2 b Solution 2026-10-18
A primitive cell containing two atoms has two independent displacement coordinates for each chosen polarization. Their coupled normal modes split into an acoustic phonon branch, which translates the cell at long wavelength, and an optical phonon branch, which moves its constituents against one another. The nonzero restoring force for the relative displacement gives a nonzero optical frequency even at the zone centre.
For an explicit scalar model, take alternating masses , equal nearest-neighbor spring constant , and cell length . If are the displacements of the two atoms in cell , Newton's second law givesA mode proportional to has a nonzero amplitude only when the two-by-two dynamical determinant vanishes. The resulting diatomic-chain dispersion relation with equal springs, in this cell-length convention, isThe minus branch is acoustic, with and a linear small- dispersion. The plus branch is optical, withAt , the acoustic eigenvector has . The optical eigenvector instead satisfies : its cell centre of mass stays fixed while the atoms move oppositely. At the zone edge, for , the frequencies are and , giving a gap between branches. Both slopes vanish there. The dispersion and displacement patterns are shown in the preceding original figure.
If the two atoms carry opposite effective charges, the relative motion creates an oscillating electric dipole moment, enabling infrared absorption by long-wavelength light. The photon momentum is tiny compared with the zone size, so ordinary optical absorption principally excites modes close to . Raman activity instead depends on modulation of polarizability; the name optical does not imply that every such mode is infrared active. Three-dimensional crystals have separate longitudinal and transverse polarizations, and long-range Coulomb forces can split their optical frequencies. A monatomic primitive cell has no internal relative coordinate and therefore no optical branch of this type.
Let the nearest-neighbour spacing be , so the primitive unit cell has length . Denote the two longitudinal displacements in cell by , with spring within each cell and spring between cells. Hooke's law and Newton's second law giveFor normal modes and , the two amplitudes satisfyIts vanishing determinant gives the alternating-spring chain dispersion relationThe minus sign is the acoustic phonon branch, with and at the origin. The plus sign is the optical phonon branch, with at the origin. For positive springs the acoustic phonon branch rises from zero to at the Brillouin zone edge; the optical phonon branch falls from to . Their long-wavelength limits areThus the leading frequency in the strong-bond limit of the alternating-spring chain is , the internal stretching frequency of a pair with reduced mass .
An acoustic phonon branch approaches zero frequency linearly, , because a long-wavelength translation has no restoring force. An optical phonon branch has nonzero frequency at and represents relative motion of atoms within a primitive unit cell. Such an optical branch requires more than one independent atom per primitive cell; a truly monatomic simple-cubic model has only the acoustic branches.
The Bose occupation is . At low temperature, appreciably populated acoustic modes haveAs temperature falls, the available phonon wavevectors concentrate near the zone centre and optical modes freeze out when . These are thermal-occupation restrictions, not a change in the allowed geometric Brillouin zone.
Let adjacent equal masses be separated by , with alternating strong and weak spring constants and , . The pattern repeats after , even though the masses are identical. Thus the first Brillouin zone isChoose the strong bond inside each two-atom primitive unit cell. With displacement amplitudes , the normal mode equations areThe alternating-spring chain dispersion relation is consequentlyThe lower acoustic phonon branch has in-phase motion within the strongly bound pair and . Its small- slope is the speed of sound,The upper optical phonon branch has opposite motion within each pair, with . Here “optical” names the gapped branch; equal neutral masses need not couple to light through an electric dipole.
In the strong-bond limit of the alternating-spring chain, the pairs act almost as rigid dimers in the low-frequency branch, while their internal stretch gives a high, nearly flat branch:At the zone edge the two frequencies are and , separated by a large forbidden frequency interval. Neighbouring cells are out of phase there. Both branches have horizontal tangents at the edge.
Quanta of collective motion. An elementary excitation is a low-energy departure from the many-body ground state that can often be treated as a quasiparticle. Near an ordered equilibrium, small collective motions form normal modes. Quantization turns a harmonic mode of frequency into bosonic excitations with energy . Their number is not an independently conserved thermodynamic variable in equilibrium, so their chemical potential is zero andHere labels branches, and contains the ground-state contribution, including phonon zero-point energy where appropriate. The approximation is useful while interactions and damping of the excitations are weak enough that the modes remain identifiable.
Phonons. A phonon is a quantum of an elastic lattice-vibration mode. Long-wavelength acoustic phonon branches have , with one longitudinal and two transverse polarizations in a three-dimensional monatomic solid. A multi-atom primitive cell can also support optical phonon branches, generally with nonzero frequency at . Linear acoustic dispersion gives , so the energy integral has and the heat capacity obeys the Debye law. In the Debye model,At temperatures high compared with all phonon energies but below structural changes, the classical harmonic limit gives approximately . Optical modes are frozen out at temperatures well below their gaps.
Spin waves. A spin wave is a spatially varying collective precession of ordered spins; its quantum is a magnon. In a simple isotropic ferromagnet, a long-wavelength gapless branch has energy , where the spin stiffness has units . State counting gives . For one isotropic branch in three dimensions,This exponent is specific to a gapless quadratic ferromagnetic branch. Long-wavelength antiferromagnetic spin waves can be linear and instead give a heat-capacity law in three dimensions. Magnetic anisotropy or an applied field can open a gap, causing activated behaviour at still lower temperatures. Near a magnetic ordering transition, a dilute noninteracting spin-wave description is no longer adequate.
Original schematic linear acoustic-phonon and quadratic ferromagnetic-magnon dispersions with their three-dimensional low-temperature heat-capacity powers
. Details. These examples illustrate the low-temperature energy of gapless bosonic excitations: for in dimensions, , hence and . The exponent records both the spatial dimension and the dispersion, making calorimetry a probe of elementary excitations.








