Crystal Stability, Chemical Bonding, Optical and Thermoelectric Properties of LaAgZnX2 (X = P, As) Through First Principles Study
Muhammad Awais Jehangir, Tarik Ouahrani, Munirah D. Albaqami, Mika Sillanpää, Shamim Khan, Kiran Batool, G. Murtaza
Topics & Concepts
Thermoelectric effectBand gapMaterials scienceDirect and indirect band gapsSemiconductorDensity functional theoryValence (chemistry)Density of statesBulk modulusCrystal structureSeebeck coefficientElectronic band structureLattice constantCondensed matter physicsIonPhononChemistryOptoelectronicsCrystallographyComputational chemistryThermodynamicsPhysicsOpticsOrganic chemistryComposite materialDiffractionAdvanced Thermoelectric Materials and DevicesHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity