121 citations · 514 across the 13 of their papers we have counts for
4 papers · 1 filter
DensityTool: A post-processing tool for space- and spin-resolved density of states from VASP
Lucas Lodeiro, Tomáš Rauch
The knowledge of the local electronic structure of heterogeneous solid materials is crucial for understanding their electronic, magnetic, transport, optical, and other properties.…
Electronic Structure and Epitaxy of CdTe Shells on InSb Nanowires
Ghada Badawy, Bomin Zhang, Tomáš Rauch +10
Indium antimonide (InSb) nanowires are used as building blocks for quantum devices because of their unique properties, i.e., strong spin-orbit interaction and large Landé g-factor.…
Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals
Fabien Tran, Jan Doumont, Leila Kalantari +8
The density functional theory (DFT) approximations that are the most accurate for the calculation of band gap of bulk materials are hybrid functionals like HSE06, the MBJ potential…
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…