87 citations · 247 across the 13 of their papers we have counts for
13 papers
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…
Editorial Comment on the Special Issue of "Information in Dynamical Systems and Complex Systems"
Erik M. Bollt, Jie Sun
This special issue collects contributions from the participants of the "Information in Dynamical Systems and Complex Systems" workshop, which cover a wide range of important proble…
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…