116 citations · 1.6k across the 79 of their papers we have counts for
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-electron and magnetic ordering effects in nickelates LaNiO and NdNiO: remarkable role of the cuprate-like band
Ruiqi Zhang, Christopher Lane, Bahadur Singh +5
Recent discovery of superconductivity in the doped infinite-layer nickelates has renewed interest in understanding the nature of high-temperature superconductivity more generally.…
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…
Topological Dirac Semimetal Phase in Bismuth Based Anode Materials for Sodium-Ion Batteries
Wei-Chi Chiu, Bahadur Singh, Sougata Mardanya +7
Bismuth has recently attracted interest in connection with Na-ion battery anodes due to its high volumetric capacity. It reacts with Na to form NaBi which is a prototypical Dir…
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 Calculation of Spin and Orbital Contributions to Magnetically Ordered Moments in SrIrO
Christopher Lane, Yubo Zhang, James W. Furness +4
We show how an accurate first-principles treatment of the canted-antiferromagnetic ground state of SrIrO, a prototypical correlated spin-orbit coupled material, can be…