17 citations · 71 across the 12 of their papers we have counts for
12 papers
The New High-entropy Compound RhMnFeCoGe4 with Cubic Non-centrosymmetric B20 Structure
V. A. Sidorov, V. N. Krasnorussky, A. V. Bokov +8
A novel high-entropy compound, RhMnFeCoGe, with a cubic non-centrosymmetric B20 struc- ture, has been synthesized under conditions of high pressure and temperature. The electri…
Adaptive fine-tuning of foundation models for crystal structure prediction: Discovery of high-pressure phases in the CaFeNi system
N. M. Chtchelkatchev, M. V. Magnitskaya, R. E. Ryltsev
The prediction of crystal structures is a key challenge in chemistry and materials science, but evolutionary crystal structure prediction (CSP) remains computationally expensive be…
Local structure, thermodynamics, and melting curve of boron phosphide at high pressures by deep learning-driven ab initio simulations
N. M. Chtchelkatchev, R. E. Ryltsev, M. V. Magnitskaya +4
Boron phosphide (BP) is a (super)hard semiconductor constituted of light elements, which is promising for high demand applications at extreme conditions. The behavior of BP at high…
Dualism of the 4f electrons and high-temperature antiferromagnetism of the heavy-fermion compound YbCoC
D. A. Salamatin, N. Martin, V. A. Sidorov +9
We report on the first study of the noncentrosymmetric ternary carbide YbCoC. Our magnetization, specific heat, resistivity and neutron diffraction measurements consistently…
Ab initio study of lattice dynamics of dodecaborides ZrB12 and LuB12
N. M. Chtchelkatchev, M. V. Magnitskaya, E. S. Clementyev +1
We performed ab initio lattice-dynamics calculations of frame-cluster dodecaborides ZrB12 and LuB12. As a whole, our calculated phonon frequencies and atom-projected density of sta…
Stability of vacancy-free crystalline phases of titanium monoxide at high pressure and temperature
N. M. Chtchelkatchev, R. E. Ryltsev, M. V. Magnitskaya +1
There have existed for a long time a paradigm that TiO phases at ambient conditions are stable only if structural vacancies are available. Using an evolutionary algorithm, we perfo…
Ab initio study of noncentrosymmetric transition-metal monogermanide B20-RhGe synthesized at high temperature and pressure
N. M. Chtchelkatchev, M. V. Magnitskaya, A. V. Tsvyashchenko
We present ab initio density-functional study of the noncentrosymmetric B20-type phase of RhGe, which is not found in nature and can be synthesized only at extreme pressures and te…
Theoretical and experimental study of high-pressure synthesized B20-type compounds Mn(Co,Rh)Ge
N. M. Chtchelkatchev, M. V. Magnitskaya, V. A. Sidorov +3
The search and exploration of new materials not found in nature is one of modern trends in pure and applied chemistry. In the present work, we report on experimental and \textit{ab…
Doping evolution of the gap structure and spin-fluctuation pairing in superconductors
A. E. Karakozov, M. V. Magnitskaya, L. S. Kadyrov +1
Doping dependence of the superconducting state structure and spin-fluctuation pairing mechanism in the family is studied. BCS-like analysis of experi…
Magnetic, electronic and transport properties of high-pressure-synthesized chiralmagnets MnRhGe (B20)
V. A. Sidorov, A. E. Petrova, N. M. Chtchelkatchev +8
We report on structural, magnetic and transport properties of a new set of the high-pressuresynthesized compounds MnRhGe () with the chiral magnetic ord…
Electron and phonon properties of noncentrosymmetric RhGe from ab initio calculations
Maria Magnitskaya, Nikolay Chtchelkatchev, Anatoly Tsvyashchenko +4
Band structure, Fermi surface, and phonon dispersions of noncentrosymmetric B20-type RhGe are calculated ab initio for the first time and their evolution with increasing pressure i…
Electric field gradients in MgB synthesized at high pressure: Cd TDPAC study and ab initio calculation
A. V. Tsvyashchenko, L. N. Fomicheva, M. V. Magnitskaya +14
We report the high-pressure synthesis of novel superconductor MgB and some related compounds. The superconducting transition temperature of our samples of MgB is equal to 3…