99 citations · 356 across the 8 of their papers we have counts for
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Phonon Calculations in Cubic and Tetragonal Phases of SrTiO3: a Comparative LCAO and Plane Wave Study
Robert A. Evarestov, Evgeny Blokhin, Denis Gryaznov +2
The atomic, electronic structure and phonon frequencies have been calculated in a cubic and low-temperature tetragonal SrTiO3 phases at the ab initio level. We demonstrate that the…
Hybrid density functional theory calculations on phonons in LaCoO3
Denis Gryaznov, Robert A. Evarestov, Joachim Maier
Phonon frequencies at Gamma-point in non-magnetic rhombohedral phase of LaCoO3 were calculated using density functional theory (DFT) with hybrid exchange correlation functional PBE…
Density functional theory calculations on magnetic properties of actinide compounds
Denis Gryaznov, Eugene Heifets, David Sedmidubsky
We have performed a detailed analysis of the magnetic (collinear and noncollinear) order and atomic and the electron structures of UO2, PuO2 and UN on the basis of density function…
Helium Behavior in Oxide Nuclear Fuels: First Principles Modeling
D. Gryaznov, S. Rashkeev, E. A. Kotomin +2
UO2 and (U,Pu)O2 solid solutions (the so-called MOX) nowadays are used as commercial nuclear fuels in many countries. One of the safety issues during the storage of these fuels is…