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cond-mat.mtrl-sci2015★ 1 cited
Potassium carbonate under pressure: common structural trend for alkaline carbonates and binary compounds
Pavel N. Gavryushkin, Anna Y. Likhacheva, Zakhar I. Popov +5
The behaviour of alkaline carbonates at high pressure is poorly understood. Indeed, theoretical and experimental investigations of general trends of pressure induced structural cha…
cond-mat.mtrl-sci2015
Unbiased crystal structure prediction of NiSi under high pressure
Pavel N. Gavryushkin, Zakhar I. Popov, Konstantin D. Litasov +1
Based on the unbiased structure prediction, we showed that the stable form of NiSi compound under the pressure of 100 and 200 GPa is the Pmmn-structure. Furthermore, we discovered…