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20102023
most citedOrigin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS3 from first-principles calculations

34 citations · 232 across the 25 of their papers we have counts for

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cond-mat.mtrl-sci2012

Electronic structure of cubic ScF from first-principles calculations

P. Zhgun, D. Bocharov, S. Piskunov +2

The first-principles calculations have been performed to investigate the ground state properties of cubic scandium trifluoride (ScF) perovskite. Using modified hybrid exchange-…