Gadolinium gallium oxide alloys, Density functional theory, f-orbital material modeling, neutral alloy formation energy
Heusler alloys, CoTaSn, Co2TaSn, thermoelectric materials, DFT, effective mass
magnetic materials (A), ab initio calculations (C), magnetic properties (D), optical properties (D), phonons (D)
Spintronics, Half Heusler alloys, Mn2Si, Mn2Ge, DFT, Half-metallic fully compensated ferrimagnets.
κ-Ga2O3, self-trapped holes, p-type conductivity, hybrid DFT, isoelectronic alloying
Perovskite solar cells, Defect Engineering, DFT, Organic Additives
β-bismuth oxide, Conversion-type electrode, Redox-mediated electrolyte, Hybrid supercapacitor, Density functional theory, Energy storage
