First-principles calculations to investigate structural, magnetic, optical, electronic and thermoelectric properties of X2MgS4(X=Gd, Tm) spinel sulfides
Mubashir Nazar, Nasarullah, Shatha A. Aldaghfag, Muhammad Yaseen, Mudassir Ishfaq, Rasheed Ahmad Khera, Saima Noreen, Magda H. Abdellattif
Topics & Concepts
Density functional theorySeebeck coefficientCondensed matter physicsBand gapAttenuation coefficientMolar absorptivityFormula unitMaterials scienceMagnetic momentFigure of meritOptical conductivityDensity of statesDirect and indirect band gapsThermoelectric effectChemistryOptoelectronicsOpticsCrystallographyThermal conductivityComputational chemistryPhysicsCrystal structureThermodynamicsComposite materialHeusler alloys: electronic and magnetic propertiesChalcogenide Semiconductor Thin FilmsAdvanced Condensed Matter Physics