Phonon calculations in cubic and tetragonal phases of SrTiO : A comparative LCAO and plane-wave study RA Evarestov, E Blokhin, D Gryaznov, EA Kotomin, J Maier
Physical Review B 83 (13), 134108, 2011
113 2011 Comparative density-functional LCAO and plane-wave calculations of surfaces RA Evarestov, EA Kotomin, YA Mastrikov, D Gryaznov, E Heifets, J Maier
Physical Review B 72 (21), 214411, 2005
112 2005 Ab initio DFT+ U study of He atom incorporation into UO 2 crystals D Gryaznov, E Heifets, E Kotomin
Physical Chemistry Chemical Physics 11 (33), 7241-7247, 2009
94 2009 A Comparative Ab Initio Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO3 : Emphasis on Phonon Contribution D Gryaznov, E Blokhin, A Sorokine, EA Kotomin, RA Evarestov, ...
The Journal of Physical Chemistry C 117 (27), 13776-13784, 2013
90 2013 The first-principles treatment of the electron-correlation and spin–orbital effects in uranium mononitride nuclear fuels D Gryaznov, E Heifets, E Kotomin
Physical Chemistry Chemical Physics 14 (13), 4482-4490, 2012
89 2012 Density functional theory calculations on magnetic properties of actinide compounds D Gryaznov, E Heifets, D Sedmidubsky
Physical Chemistry Chemical Physics 12 (38), 12273-12278, 2010
67 2010 Jahn-Teller effect in the phonon properties of defective SrTiO from first principles R Evarestov, E Blokhin, D Gryaznov, EA Kotomin, R Merkle, J Maier
Physical Review B 85 (17), 174303, 2012
62 2012 Thermodynamic properties of neutral and charged oxygen vacancies in BaZrO 3 based on first principles phonon calculations TS Bjørheim, M Arrigoni, D Gryaznov, E Kotomin, J Maier
Physical Chemistry Chemical Physics 17 (32), 20765-20774, 2015
55 2015 Quantitative model of electrochemical Ostwald ripening and its application to the time-dependent electrode potential of nanocrystalline metals A Schröder, J Fleig, D Gryaznov, J Maier, W Sitte
The Journal of Physical Chemistry B 110 (25), 12274-12280, 2006
45 2006 Ab initio modelling of oxygen vacancies and protonic defects in La 1− x Sr x FeO 3− δ perovskite solid solutions D Gryaznov, R Merkle, EA Kotomin, J Maier
Journal of materials chemistry A 4 (34), 13093-13104, 2016
41 2016 Thermodynamic stability and disordering in LacSr1− cMnO3 solid solutions D Fuks, L Bakaleinikov, EA Kotomin, J Felsteiner, A Gordon, ...
Solid State Ionics 177 (3-4), 217-222, 2006
39 2006 Interdependence of Oxygenation and Hydration in Mixed-Conducting (Ba,Sr)FeO3−δ Perovskites Studied by Density Functional Theory MF Hoedl, D Gryaznov, R Merkle, EA Kotomin, J Maier
The Journal of Physical Chemistry C 124 (22), 11780-11789, 2020
36 2020 DFT calculations of point defects on UN (001) surface D Bocharov, D Gryaznov, YF Zhukovskii, EA Kotomin
Surface science 605 (3-4), 396-400, 2011
36 2011 Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and sub-surface vacancies D Bocharov, D Gryaznov, YF Zhukovskii, EA Kotomin
Journal of nuclear materials 416 (1-2), 200-204, 2011
35 2011 Finite element simulation of diffusion into polycrystalline materials D Gryaznov, J Fleig, J Maier
Solid State Sciences 10 (6), 754-760, 2008
35 2008 Helium behavior in oxide nuclear fuels: First principles modeling D Gryaznov, S Rashkeev, EA Kotomin, E Heifets, Y Zhukovskii
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2010
34 2010 Oxygen vacancy formation energies in Sr-doped complex perovskites: ab initio thermodynamic study D Gryaznov, MW Finnis, RA Evarestov, J Maier
Solid State Ionics 254, 11-16, 2014
31 2014 Technological limitations and processing-generated defects at the development of pixel and strip arrays V Gostilo, D Gryaznov, I Lisjutin
Nuclear Instruments and Methods in Physics Research Section A: Accelerators …, 2002
31 2002 Comparison of permeation measurements and hybrid density-functional calculations on oxygen vacancy transport in complex perovskite oxides D Gryaznov, S Baumann, EA Kotomin, R Merkle
The Journal of Physical Chemistry C 118 (51), 29542-29553, 2014
30 2014 Hybrid density-functional calculations of phonons in D Gryaznov, RA Evarestov, J Maier
Physical Review B 82 (22), 224301, 2010
25 2010