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Bloch Theorem

This card is a compact lookup. Bloch’s Theorem is the canonical article for the proof, finite-size normalization, Bloch–Floquet formulation, examples, and limitations.

For a single-particle Hamiltonian invariant under lattice translations R\mathbf R,

TRH=HTR,T_{\mathbf R}H = HT_{\mathbf R},

energy eigenstates can be chosen as simultaneous translation eigenstates:

TRψnk=e−ik⋅Rψnk.T_{\mathbf R}\psi_{n\mathbf k} = e^{-i\mathbf k\cdot\mathbf R} \psi_{n\mathbf k}.

In position space this gives Bloch form:

ψnk(r)=eik⋅runk(r),\psi_{n\mathbf k}(\mathbf r) = e^{i\mathbf k\cdot\mathbf r} u_{n\mathbf k}(\mathbf r),

where the cell-periodic part satisfies

unk(r+R)=unk(r).u_{n\mathbf k}(\mathbf r+\mathbf R) = u_{n\mathbf k}(\mathbf r).

Crystal momentum is defined modulo reciprocal lattice vectors:

k∼k+G,eiG⋅R=1.\mathbf k\sim\mathbf k+\mathbf G, \qquad e^{i\mathbf G\cdot\mathbf R}=1.
  • The Hamiltonian has exact lattice-translation symmetry.
  • A single-particle or mean-field one-particle Hamiltonian is being diagonalized.
  • Boundary conditions are compatible with the lattice in the large-system or Born-von Karman sense.
  • Disorder, surfaces, magnetic translations, interactions beyond an effective one-particle description, and time-dependent driving require extra structure.

Bloch theorem organizes eigenstates into bands labeled by nn and crystal momentum k\mathbf k in a Brillouin zone. It is a symmetry statement, not a statement that the electrons are free. The periodic factor unku_{n\mathbf k} contains the effect of the lattice potential.

In interacting many-body systems, translation symmetry still exists, but the elementary excitations and quantum numbers need not be simple single-particle Bloch waves.

  • Treating crystal momentum as ordinary mechanical momentum without the modulo-reciprocal-lattice caveat.
  • Forgetting that unku_{n\mathbf k} is periodic while ψnk\psi_{n\mathbf k} generally is not periodic in a single unit cell.
  • Applying Bloch theorem to disordered or surface-dominated systems without stating the approximation.
  • Ignoring degeneracies when choosing a smooth band basis across the Brillouin zone.

If G\mathbf G is a reciprocal lattice vector, why do k\mathbf k and k+G\mathbf k+\mathbf G give the same translation eigenvalue?

Solution

For every lattice vector R\mathbf R,

e−i(k+G)⋅R=e−ik⋅Re−iG⋅R=e−ik⋅R.e^{-i(\mathbf k+\mathbf G)\cdot\mathbf R} = e^{-i\mathbf k\cdot\mathbf R} e^{-i\mathbf G\cdot\mathbf R} = e^{-i\mathbf k\cdot\mathbf R}.

Thus translations cannot distinguish k\mathbf k from k+G\mathbf k+\mathbf G.

  • F. Bloch, “Über die Quantenmechanik der Elektronen in Kristallgittern,” Zeitschrift für Physik 52, 555–600 (1929), doi:10.1007/BF01339455.
  • N. W. Ashcroft and N. D. Mermin, Solid State Physics, Holt, Rinehart and Winston, 1976.
  • S. H. Simon, The Oxford Solid State Basics, Oxford University Press, 2013.