17 citations · 71 across the 12 of their papers we have counts for
4 papers · 1 filter
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…