3 papers
cond-mat.mtrl-sci2020
Unusual chemistry of the C-H-N-O system under pressure and implications for giant planets
Anastasia S. Naumova, Sergey V. Lepeshkin, Pavel V. Bushlanov +1
C-H-N-O system is central for organic chemistry and biochemistry, and plays a major role in planetary science (dominating the composition of "ice giants" Uranus and Neptune). The i…
cond-mat.mtrl-sci2019
Hydrocarbons under pressure: phase diagrams and surprising new compounds in the C-H system
Anastasia S. Naumova, Sergey V. Lepeshkin, Artem R. Oganov
Understanding the high-pressure behavior of C-H system is of great importance due to its key role in organic, bio-, petroleum and planetary chemistry. We have performed a systemati…
cond-mat.mtrl-sci2017
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…