Tunable electronic properties of the dynamically stable layered mineral Pt<sub>2</sub>HgSe<sub>3</sub> (Jacutingaite)
A. Bafekry, Catherine Stampfl, Chương V. Nguyen, Mitra Ghergherehchi, Bohayra Mortazavi
Abstract
Density functional theory calculations are performed in order to study the structural and electronic properties of monolayer Pt<sub>2</sub>HgSe<sub>3</sub>. Effects of uniaxial and biaxial strain, layer thickness, electric field and out-of-plane pressure on the electronic properties are systematically investigated.
Topics & Concepts
MonolayerDensity functional theoryMaterials scienceElectronic structureElectric fieldCondensed matter physicsField (mathematics)NanotechnologyComputational chemistryChemistryPhysicsMathematicsQuantum mechanicsPure mathematics2D Materials and ApplicationsTopological Materials and PhenomenaAdvanced Semiconductor Detectors and Materials