6533b824fe1ef96bd1281550
RESEARCH PRODUCT
Topological analysis of chemical bonding in the layered FePSe3 upon pressure-induced phase transitions
Robert A. EvarestovAlexei Kuzminsubject
Phase transitionElectron densityMaterials scienceBand gaplayered compoundFOS: Physical sciencesElectronic structuresemiconductor-to-metal transition010402 general chemistryTopology01 natural sciencestopological analysis0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Condensed Matter - Materials Science010304 chemical physicsFePSe3Materials Science (cond-mat.mtrl-sci)General ChemistrySymmetry (physics)0104 chemical sciencesComputational Mathematicshigh pressureChemical bondLinear combination of atomic orbitalsfirst-principles calculationsdescription
The authors acknowledge the assistance of the University Computer Center of Saint-Petersburg State University in the accomplishment of high-performance computations. A.K. is grateful to the Latvian Council of Science project no. lzp-2018/2-0353 for financial support. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2020-01-01 |