124 citations · 394 across the 20 of their papers we have counts for
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Prediction of a Heusler alloy with switchable metal-to-half-metal behavior
V. D. Buchelnikov, V. V. Sokolovskiy, O. N. Miroshkina +4
We propose a ferromagnetic Heusler alloy that can switch between a metal and a half-metal. Thiseffect can provide tunable spintronics properties. Using the density functional theor…
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…
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…
Correlation in noncollinear antiferromagnetic -Mn
Aki Pulkkinen, Bernardo Barbiellini, Johannes Nokelainen +10
We have investigated the interplay between magnetic and structural degrees of freedom in elemental Mn. The equilibrium volume is shown to depend critically on the magnetic interact…
Correlation effects on ground-state properties of ternary Heusler alloys: first-principles study
V. D. Buchelnikov, V. V. Sokolovskiy, O. N. Miroshkina +5
The strongly constrained and appropriately normed (SCAN) semi-local functional for exchange-correlation is deployed to study the ground-state properties of ternary Heusler alloys t…