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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

2022Journal of Physics and Chemistry of Solids49 citationsDOI

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
First-principles calculations to investigate structural, magnetic, optical, electronic and thermoelectric properties of X2MgS4(X=Gd, Tm) spinel sulfides | Litcius