ПросмотрB6 – LU institūti un aģentūras / Institutes and agencies of the UL по теме "high pressure"
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First-principles LCAO study of the low and room temperature phases of CdPS3
(AIP Publishing, 2020)The electronic and atomic structure of a bulk 2D layered van-der-Waals compound CdPS3 was studied in the low (R3) and room (C2/m) temperature phases using first-principles calculations within the periodic linear combination ... -
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 ...