Scientific articles

SCIENTIFIC ARTICLES
Perovskite oxides MRuO3 (M = Sr, Ca and Ba): Structural distortion, electronic and magnetic properties with GGA and GGA-modified Becke–Johnson approaches	Effect of (Co, N) co-doping of p-type ZnO on electronic and magnetic properties by DFT+U studies
Optoelectronic and magnetic properties of the ortho-perovskite GdRuO3 using DFT+U with spin-orbit coupling: predictive study	Investigation of optoelectronic and thermo-electric properties of half-metallic BaRuO3 using DFT+U
Modified Becke–Johnson (mBJ) exchange potential investigation of the optoelectronic properties of XThO3(X = Sa, Sr and Ba)	Half-metallic properties in Co2XSn (X = Ti, V and Cr) full-Heusler compound
Optoelectronic, thermoelectric and thermo-dynamic properties of AgBO2 delafossite structure: An ab initio comparative study with AgAlO2	Promising shape memory in NiCoMnZ (Z=Si, Ge and Sn) quaternary Heusler alloy from first principles
Enhanced optical and thermoelectric properties of ZnO by tin and fluorine codoping: First-principles DFT calculations	Predictive study of ferromagnetism and antiferromagnetism coexistence in Ba1-x GdxRuO3 induced by Gd-doping
Predective ab-initio study of optoelectronic and magnetic properties of BaDyO3 new perovskite	Evolution of electronic bandgap by anion variation to explore niobium new halide double perovskites Cs2GeNbX6 (X = Cl, Br, I) for solar cells and thermoelectric applications: first principles analysis
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