Novel Janus GaInX<sub>3</sub> (X = S, Se, Te) single-layers: first-principles prediction on structural, electronic, and transport properties
Tuan V. Vu, Nguyen N. Hieu, A.A. Lavrentyev, О.Y. Khyzhun, Chu V. Lanh, A. I. Kartamyshev, Huynh V. Phuc, Nguyen V. Hieu
Abstract
In this paper, the structural, electronic, and transport properties of Janus GaInX 3 (X = S, Se, Te) single-layers are investigated by a first-principles calculations.
Topics & Concepts
JanusMaterials scienceIsotropyBand gapSemiconductorChalcogenElectronic structureCondensed matter physicsStructural stabilityElectron transport chainNanotechnologyOptoelectronicsCrystallographyChemistryPhysicsOpticsEngineeringBiochemistryStructural engineering2D Materials and ApplicationsMXene and MAX Phase MaterialsMachine Learning in Materials Science