Vladimir Antropov

Superconductivity of Metallic Boron in MgB2

Boron in MgB2 forms stacks of honeycomb layers with magnesium as a space filler. Band structure calculations indicate that Mg is substantially ionized, and the bands at the Fermi level derive mainly from B orbitals. Strong bonding with an ionic component and considerable metallic density of states yield a sizable electron-phonon coupling. Together with high phonon frequencies, which we estimate via zone-center frozen phonon calculations to be between 300 and 700 cm(-1), this produces a high critical temperature, consistent with recent experiments. Thus MgB2 can be viewed as an analog of the long sought, but still hypothetical, superconducting metallic hydrogen.

Local spin density functional approach to the theory of exchange interactions in ferromagnetic metals and alloys

Abstract Rigorous expressions for the exchange parameters of classical Heisenberg model applied to crystals are obtained using a local spin density functional (LSDF) approach and KKR-Green functions formalism. The spin wave stiffness constant and Curie temperature ( T c ) of ferromagnetic metals are obtained without any model assumptions as to the character of exchange interactions. The concentration dependence of T c for binary ferromagnetic alloys is investigated in the framework of the single-site CPA-theory. The corresponding calculations are carried out for simple metals Fe, Ni and disordered NiPd alloys.

Electronic structure and magnetic exchange coupling in ferromagnetic full Heusler alloys

Density-functional studies of the electronic structures and exchange interaction parameters have been performed for a series of ferromagnetic full Heusler alloys of general formula

Coexistence of covalent and metallic bonding in the boron intercalation superconductor MgB 2

{\mathrm{Co}}_{2}\mathrm{Mn}Z

Itinerant magnetic excitations in antiferromagnetic CaFe2As2.

(Z=\mathrm{Ga},\mathrm{Si},\mathrm{Ge},\mathrm{Sn})

On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets

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First-principles exchange interactions in Fe, Ni, and Co

{\mathrm{Rh}}_{2}\mathrm{Mn}Z

Aspects of spin dynamics and magnetic interactions

(Z=\mathrm{Ge},\mathrm{Sn},\mathrm{Pb})