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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

2021Materials Science and Engineering B13 citationsDOI

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
Structural, mechanical, electronic and optical properties of half-metallic XFeSi2O6 (X = Li, Na, K) clinopyroxenes: A first-principles investigation | Litcius