Math 2.0

Mechanics of deformable solids Definition

Phonon dispersion in lattices

Builds on Harmonic oscillatorEigenvalue

Definition

Let Λ={Rn}\Lambda = \set{R_n} be a lattice of translations of ℝd\R^d, and let a crystal have rr atoms in each cell, with masses m1,…,mr>0m_1, \dots, m_r > 0. Write unκ(t)∈ℝdu_{n\kappa}(t) \in \R^d for the displacement of atom κ\kappa of cell nn from its rest position. The harmonic approximation gives these equations of motion: mκ u¨nκα=−∑n′,κ′,βΦκα,κ′β(Rn′−Rn) un′κ′β.m_\kappa \, \ddot u_{n\kappa\alpha} = -\sum_{n', \kappa', \beta} \Phi_{\kappa\alpha, \kappa'\beta}(R_{n'} - R_n) \, u_{n'\kappa'\beta}. The force constants Φ\Phi are real, depend only on the difference of the cells, and satisfy Φκα,κ′β(R)=Φκ′β,κα(−R)\Phi_{\kappa\alpha,\kappa'\beta}(R) = \Phi_{\kappa'\beta,\kappa\alpha}(-R). For a wave vector k∈ℝdk \in \R^d the dynamical matrix D(k)D(k) is the dr×drdr \times dr matrix with entries Dκα,κ′β(k)=1mκmκ′∑R∈ΛΦκα,κ′β(R) eik⋅R.D_{\kappa\alpha, \kappa'\beta}(k) = \frac{1}{\sqrt{m_\kappa m_{\kappa'}}} \sum_{R \in \Lambda} \Phi_{\kappa\alpha, \kappa'\beta}(R) \, e^{i k \cdot R}. The matrix D(k)D(k) is Hermitian. The phonon dispersion relation is the family of maps k↦ωj(k)k \mapsto \omega_j(k), j=1,…,drj = 1, \dots, dr, where ωj(k)2\omega_j(k)^2 are the eigenvalues of D(k)D(k). For each jj, the motions unκ=mκ−1/2eκ ei(k⋅Rn−ωj(k)t)u_{n\kappa} = m_\kappa^{-1/2} e_\kappa \, e^{i(k \cdot R_n - \omega_j(k) t)}, with ee an eigenvector, are the plane-wave solutions.

Remarks

Example: the one-dimensional chain with d=r=1d = r = 1, spacing aa, mass mm and springs KK between neighbours has mu¨n=K(un+1−2un+un−1)m \ddot u_n = K(u_{n+1} - 2u_n + u_{n-1}). Inserting un=ei(kna−ωt)u_n = e^{i(kna - \omega t)} gives mω2=2K(1−cos⁡ka)=4Ksin⁡2(ka/2)m \omega^2 = 2K(1 - \cos ka) = 4K \sin^2(ka/2), so ω(k)=2K/m ∣sin⁡(ka/2)∣\omega(k) = 2\sqrt{K/m} \, \abs{\sin(ka/2)}. For small kk this is ω≈aK/m ∣k∣\omega \approx a\sqrt{K/m}\,\abs{k}, a sound wave with speed aK/ma\sqrt{K/m}.

Non-example: if the interatomic potential is kept beyond second order, the equations of motion are nonlinear, and plane waves with a fixed frequency are no longer exact solutions.

The crystal is stable exactly when every D(k)D(k) is positive semidefinite, and then all ωj(k)\omega_j(k) are real. Each ωj\omega_j is periodic under translations of kk by the reciprocal lattice, so it suffices to study kk in one Brillouin zone. In d=3d = 3 there are 33 acoustic branches, which vanish at k=0k = 0, and 3r−33r - 3 optical branches. Each normal mode is a harmonic oscillator, and its quantum is called a phonon.

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  1. Complex numbers object
  2. Differential equation concept
  3. Eigenvalue concept
  4. Function concept
  5. Interval concept
  6. Euler's formula statement
  7. Ordinary differential equation definition
  8. Order of a differential equation definition
  9. Linear differential equation of order n definition
  10. Homogeneous linear equation definition
  11. Linear equation with constant coefficients definition
  12. Superposition principle statement
  13. Characteristic equation definition
  14. Solution space of a homogeneous linear equation has dimension n statement
  15. Fundamental system of solutions definition
  16. Solutions for distinct real roots statement
  17. Solutions for repeated roots statement
  18. Solutions for complex conjugate roots statement
  19. Harmonic oscillator example
  20. Phonon dispersion in lattices definition

Further reading

  1. Web https://en.wikipedia.org/wiki/Phonon
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MSC74J05, 74E15, 74A25
DefinesPhonon dispersion in lattices
UsesHarmonic oscillator, Eigenvalue
Changed3 November 2026

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