87 citations · 247 across the 13 of their papers we have counts for
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Machine Learning algorithms for optimization of magnetocaloric effect in all-d-metal Heusler alloys
Danil Baigutlin, Vladimir Sokolovskiy, Vasiliy Buchelnikov +1
This study examines the application of machine learning algorithms, specifically the Random Forest regression model, to optimize the magnetocaloric effect in all-d-metal Heusler al…
Structural and Magnetic Properties of Fe-Al alloys: an Ab initio Studies
Mikhail A. Zagrebin, Mariya V. Matyunina, Alexey B. Koshkin +2
In the framework of density functional theory, the structural and magnetic properties of FeAl alloys (~at.\%) with the different structural order…
Impact of local arrangement of Fe and Ni on the phase stability and magnetocrystalline anisotropy in Fe-Ni-Al Heusler alloys
Vladimir V. Sokolovskiy, Olga N. Miroshkina, Vasiliy D. Buchelnikov +1
On the basis of density functional calculations, we report on a comprehensive study of the influences of atomic arrangement and Ni substitution for Al on the ground state structura…
Impact of local arrangement of Fe and Ni in Fe-Ni-Al Heusler alloys on the phase stability and magnetocrystalline anisotropy
Vladimir V. Sokolovskiy, Olga N. Miroshkina, Vasiliy D. Buchelnikov +1
On the basis of the density functional calculations in combination with the supercell approach, we report on a complete study of the influences of atomic arrangement and Ni substit…
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…
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…
A ternary map of Ni-Mn-Ga Heusler alloys from ab initio calculations
Yu. Sokolovskaya, O. Miroshkina, V. Sokolovskiy +3
In the present work, the aspects of magnetic and structural properties of Ni-Mn-Ga alloys are described in the framework of fist-principles approach and mapped into ternary composi…
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…
First-principles calculation of the instability leading to giant inverse magnetocaloric efects
Denis Comtesse, Markus E. Gruner, Vladimir V. Sokolovskiy +10
The structural and magnetic properties of functional Ni-Mn-Z (Z = Ga, In, Sn) Heusler alloys are studied by first-principles and Monte Carlo methods. The \textit{ab initio} calcula…