First-principles calculations to investigate electronic, optical, thermodynamic and thermoelectric properties of new Na6ZnX4 (X=O, S, Se) ternary alloys
Adil Es‐Smairi, Nejma Fazouan, Himanshu Joshi, El Houssine Atmani
Topics & Concepts
Ternary operationBand gapThermoelectric effectMaterials scienceElectronic structureSemiconductorDirect and indirect band gapsElectronic band structureCondensed matter physicsSolid solutionValence (chemistry)ThermodynamicsChemistryOptoelectronicsPhysicsMetallurgyProgramming languageOrganic chemistryComputer scienceHeusler alloys: electronic and magnetic propertiesChalcogenide Semiconductor Thin Films2D Materials and Applications