52 citations · 121 across the 8 of their papers we have counts for
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Ultrafast Dynamics of the Surface Photovoltage in Potassium Doped Black Phosphorus
G. Kremer, M. Rumo, C. Yue +6
Black phosphorus is a quasi-two-dimensional layered semiconductor with a narrow direct band gap of 0.3 eV. A giant surface Stark effect can be produced by the potassium doping of b…
Nature of native atomic defects in ZrTe and their impact on the low-energy electronic structure
B. Salzmann, A. Pulkkinen, B. Hildebrand +9
Over the past decades, investigations of the anomalous low-energy electronic properties of ZrTe have reached a wide array of conclusions. An open question is the growth method'…
Electronic structure beyond the generalized gradient approximation for NiMnGa
D. R. Baigutlin, V. V. Sokolovskiy, O. N. Miroshkina +8
The stability of the nonmodulated martensitic phase, the austenitic Fermi surface and the phonon dispersion relations for ferromagnetic NiMnGa are studied using density functio…
Superconducting and Antiferromagnetic Properties of Dual-Phase VGa
Michelle E. Jamer, Brandon Wilfong, Vasiliy D. Buchelnikov +11
The binary compound VGa can exhibit two near-equilibrium phases, consisting of the A15 structure that is superconducting, and the Heusler D0 structure that is semiconductin…
Exchange-correlation corrections for electronic properties of half-metallic CoFeSi and nonmagnetic semiconductor CoFeTiAl
Olga N. Miroshkina, Danil R. Baigutlin, Vladimir V. Sokolovskiy +5
We consider two cobalt-based full-Heusler compounds CoFeTiAl and CoFeSi, for which Coulomb correlation effects play an important role. Since the standard GGA scheme does not pr…
First-principles study of the impact of grain boundary formation in the cathode material LiFePO4
Jan Kuriplach, Aki Pulkkinen, Bernardo Barbiellini
Motivated by the need to understand the role of internal interfaces in Li migration occurring in Li-ion batteries, a first principles study of a coincident site lattice grain bound…