Search
Now showing items 1-2 of 2
Origin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS3 from first-principles calculations
(John Wiley and Sons Inc., 2020)
Pressure-induced insulator-to-metal transition (IMT) has been studied in the van der Waals compound iron thiophosphate (FePS3) using first-principles calculations within the periodic linear combination of atomic orbitals ...
Topological analysis of chemical bonding in the layered FePSe3 upon pressure-induced phase transitions
(Wiley, 2020)
Two pressure-induced phase transitions have been theoretically studied in the layered iron phosphorus triselenide (FePSe3 ). Topological analysis of chemical bonding in FePSe3 has been performed based on the results of ...