121 citations · 514 across the 13 of their papers we have counts for
3 papers · 1 filter
Mirror Chern numbers in the hybrid Wannier representation
Tomáš Rauch, Thomas Olsen, David Vanderbilt +1
The topology of electronic states in band insulators with mirror symmetry can be classified in two different ways. One is in terms of the mirror Chern number, an integer that count…
Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential
Tomáš Rauch, Miguel A. L. Marques, Silvana Botti
The electronic band structures of two-dimensional materials are significantly different from those of their bulk counterparts, due to quantum confinement and strong modifications o…
Local modified Becke-Johnson exchange-correlation potential for interfaces, surfaces, and two-dimensional materials
Tomáš Rauch, Miguel A. L. Marques, Silvana Botti
The modified Becke-Johnson meta-GGA potential of density functional theory has been shown to be the best exchange-correlation potential to determine band gaps of crystalline solids…