Theoretical studies on phase stability, electronic, optical, mechanical and thermal properties of chalcopyrite semiconductors HgXN2 (X=Si, Ge and Sn): A comprehensive DFT analysis
A. Hossain, M. A. Ali, M. M. Uddin, S. H. Naqib, M. M. Hossain, M. M. Hossain
Topics & Concepts
Materials scienceTetragonal crystal systemDensity functional theoryBand gapDirect and indirect band gapsSemiconductorElectronic structurePhase (matter)Ground stateCharge carrierElectronic band structureElectron mobilityThermal stabilityEffective mass (spring–mass system)Condensed matter physicsOptoelectronicsComputational chemistryAtomic physicsChemistryQuantum mechanicsPhysicsOrganic chemistryChalcogenide Semiconductor Thin FilmsAdvanced Semiconductor Detectors and MaterialsMachine Learning in Materials Science