In nonmagnetic crystals with inversion symmetry the electronic bands are twofold degenerate. As a consequence, any orthonormalized linear combination of the two corresponding eigenfunctions can represent the electron wave function. A priori it is not obvious which superposition, gauge, should be chosen to calculate a quantity which is not gauge invariant within a certain approximation. Here we consider gauge options appropriate under particular physical conditions.
|Physical Review B: Condensed Matter and Materials Physics
|Published - 2012
- WAVE-PACKET DYNAMICS