468 citations · 813 across the 4 of their papers we have counts for
4 papers
Cation interstitial diffusion in lead telluride and cadmium telluride studied by means of neural network potential based molecular dynamics simulations
Marcin Mińkowski, Kerstin Hummer, Christoph Dellago
Using a recently developed approach to represent ab initio based force fields by a neural network potential, we perform molecular dynamics simulations of lead telluride (PbTe) and…
Vibrational and optical properties of MoS: from monolayer to bulk
Alejandro Molina-Sánchez, Kerstin Hummer, Ludger Wirtz
Molybdenum disulfide, MoS2, has recently gained considerable attention as a layered material where neighboring layers are only weakly interacting and can easily slide against each…
Photoemission of BiSe with Circularly Polarized Light: Probe of Spin Polarization or Means for Spin Manipulation?
J. Sánchez-Barriga, A. Varykhalov, J. Braun +12
Topological insulators are characterized by Dirac cone surface states with electron spins aligned in the surface plane and perpendicular to their momenta. Recent theoretical and ex…
Effect of spin-orbit interaction on the excitonic effects in single-layer, double-layer, and bulk MoS2
Alejandro Molina-Sánchez, Davide Sangalli, Kerstin Hummer +2
We present converged ab-initio calculations of the optical absorption spectra of single-layer, bi-layer, and bulk MoS. Both the quasiparticle-energy calculations (on the level…