Existence of Dirac cones in the Brillouin zone of diperiodic atomic crystals according to group theory

J Phys Condens Matter. 2016 Mar 2;28(8):085502. doi: 10.1088/0953-8984/28/8/085502. Epub 2016 Feb 1.

Abstract

We have considered non-magnetic materials with weak spin-orbit coupling, that are periodic in two non-collinear directions, and finite in the third, orthogonal direction. In some cases, the combined time-reversal and crystal symmetry of such systems, allows the existence of Dirac cones at certain points in the reciprocal space. We have investigated in a systematic way, all points of the Brillouin zone of all 80 diperiodic groups and have found sufficient conditions for the existence of s = 1/2 Dirac fermions, with symmetry-provided band touching at the vertex of the Dirac cones. Conversely, complete linear dispersion is forbidden for orbital wave functions belonging to two-dimensional (2D) irreducible representations (irreps) of little groups that do not satisfy certain group theoretical conditions given in this paper. Our results are illustrated by a tight-binding example.

Publication types

  • Research Support, Non-U.S. Gov't