First-principles Calculations to Investigate Emerging Double Perovskites K2NaMoX6 (X=Cl, I) Compounds for Magnetic and Optoelectronic Applications
Sheharyar Munir, Mehwish Khalid Butt, Shatha A. Aldaghfag, Misbah Misbah, Muhammad Yaseen, Nasarullah, Mubashir Nazar, H.H. Somaily
Topics & Concepts
Refractive indexDensity functional theoryOptical conductivityMolar absorptivityMagnetic momentCondensed matter physicsMaterials scienceBand gapAttenuation coefficientAnisotropyDirect and indirect band gapsAbsorption (acoustics)DielectricOptoelectronicsChemistryOpticsComputational chemistryPhysicsComposite materialPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity