Semiconducting Chalcogenide Alloys Based on the (Ge, Sn, Pb) (S, Se, Te) Formula with Outstanding Properties: A First-Principles Calculation Study
A. Bafekry, Masoud Shahrokhi, Aamir Shafique, Hamad Rahman Jappor, Mohamed M. Fadlallah, Catherine Stampfl, Mitra Ghergherehchi, Muhammad Mushtaq, S. A. H. Feghhi, D. Gogova
Abstract
for p-type. The high p-type power factor is originated from the multiple valleys near the valence band maxima. The anisotropic results of the optical and transport properties are related to the specific tetragonal alloy unit cell.
Topics & Concepts
Materials scienceAlloyChalcogenideTetragonal crystal systemSemiconductorBand gapCondensed matter physicsDensity functional theoryThermoelectric effectAnisotropyDirect and indirect band gapsOptoelectronicsOpticsThermodynamicsCrystallographyComputational chemistryComposite materialPhysicsChemistryCrystal structureAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsPhase-change materials and chalcogenides