Structural optimization and thermodynamic stability of novel 2D trigonal Mg2Ga2S5 monolayer for high-performance optoelectronic and thermoelectric characteristics via first-principles study
Zahid Ullah, Ghulam Saddiq, Abdul Wakil, G. Murtaza, Najah Alwadie, Izaz Ul Haq
Topics & Concepts
Thermoelectric effectMaterials scienceMonolayerBand gapOptoelectronicsDensity functional theoryPhononThermal stabilityElectronic band structureFigure of meritCondensed matter physicsSemiconductorDirect and indirect band gapsAbsorption (acoustics)Thermoelectric materialsHeat capacityThermalElectronic structureGibbs free energyDispersion (optics)Seebeck coefficientUltravioletLattice constantStructural stabilityLattice (music)Density of statesThermoelectric coolingChemical stability2D Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesChalcogenide Semiconductor Thin Films