169 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of LatviaLV37 papers
- Osnabrück UniversityDE5 papers
- Aarhus UniversityDK4 papers
- Joint Research CentreNL3 papers
- St Petersburg UniversityRU3 papers
- Technical University of MunichDE3 papers
- University of Notre DameUS3 papers
- Uniwersytet Komisji Edukacji Narodowej w KrakowiePL3 papers
- Centre National de la Recherche ScientifiqueFR2 papers
- European CommissionBE2 papers
- FZU ‒ Institute of Physics of the Academy of Sciences of the Czech RepublicCZ2 papers
- Institute of Nuclear Physics, Polish Academy of SciencesPL2 papers
6 papers · 2 filters
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…
Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and subsurface vacancies
Dmitry Bocharov, Denis Gryaznov, Yuri F. Zhukovskii +1
The incorporation of oxygen atoms has been simulated into either nitrogen or uranium vacancy at the UN(001) surface, sub-surface or central layers. For calculations on the correspo…
DFT calculations of point defects on UN(001) surface
Dmitry Bocharov, Denis Gryaznov, Yuri F. Zhukovskii +1
The density functional theory (DFT) is used in a study of point defects on both UN (001) surface and sub-surface layers. We compare results for slabs of different thicknesses (both…
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…