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

Robert A. Evarestov, Alexei Kuzmin. Origin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS3 from first-principles calculations. Journal of Computational Chemistry, 41(14):1337-1344, 2020. [doi]

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