Structural, mechanical, electronic and optical properties of half-metallic XFeSi2O6 (X = Li, Na, K) clinopyroxenes: A first-principles investigation
Naafis Ahnaf Shahed, Shamima Khanom, Md. Kamal Hossain, Farid Ahmed
Topics & Concepts
Monoclinic crystal systemOrthorhombic crystal systemMaterials scienceFerromagnetismCondensed matter physicsMagnetic momentElectronic structureDensity functional theoryCrystallographyCrystal structureChemistryPhysicsComputational chemistryBoron and Carbon Nanomaterials ResearchMultiferroics and related materialsZnO doping and properties