211 citations · 673 across the 27 of their papers we have counts for
3 papers · 1 filter
Unusual pressure-induced periodic lattice distortion in SnSe
Jianjun Ying, Hari Paudyal, Christoph Heil +3
We performed high pressure x-ray diffraction (XRD), Raman, and transport measurements combined with first-principles calculations to investigate the behavior of tin diselenide (SnS…
Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors
Samuel Ponce, Elena R. Margine, Feliciano Giustino
We probe the accuracy limit of {\it ab initio} calculations of carrier mobilities in semiconductors, within the framework of the Boltzmann transport equation. By focusing on the pa…
BOPfox program for tight-binding and analytic bond-order potential calculations
T. Hammerschmidt, B. Seiser, M. E. Ford +11
Bond-order potentials (BOPs) provide a local and physically transparent description of the interatomic interaction. Here we describe the efficient implementation of analytic BOPs i…