Keywords: LSD + U; FP-LAPW; ZnS:Mn; Optical properties; Magnetic moments; LSDA+U
مقالات ISI LSD + U (ترجمه نشده)
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Effect of (Co, N) co-doping of p-type ZnO on electronic and magnetic properties by DFT+U studies
Keywords: LSD + U; FP-LAPW; DMS; Ferromagnetism; p-doped,ZnO; LSDA+U;
First principles calculations of structural, magnetic and electronic properties of Co2TiZ (ZÂ = Si and Sn) Heusler alloys using LSDA+U method: Effect of U
Keywords: LSD + U; First principles calculation; LSDA+U; Half metallic; Heusler alloys;
First-principles study of the structural, electronic, magnetic and elastic properties of LaxGd1-xN alloys
Keywords: LSD + U; Alloys; Electronic structure; Band structure; Magnetic moment; LSDA+U;
Spin state transition in Bi1âxLaxCoO3 perovskite alloys: DFT+U study
Keywords: LSD + U; Density functional theory; LSDA+U; Electronic and magnetic structures; Perovskite materials;
LSDA+U study on the electronic and anti-ferromagnetic properties of Ni-doped CuO and Cu-doped NiO
Keywords: LSD + U; LSDA+U; CuO; NiO; Magnetic moment; Electronic structure; Photocatalysis;
Structural, electronic and magnetic properties of FCC Ba2CoBO6 [BÂ =Â Mo, W, Re, Os]: LSDA+U+SOC comparative investigation
Keywords: LSD + U; Ba2CoBO6; Half-metallic; Antiferromagnetic; DFT; LSDA+U;
Mechanical and thermal properties of NpO2 using LSDA+U approach
Keywords: LSD + U; NpO2; LSDA+U; Mechanical properties; Thermal properties; First principles
DFT-FPLMTO study of electronic and magnetic structures of half-metallic antiferromagnetic complex perovskite Ba2CoWO6
Keywords: LSD + U; Complex perovskite; Ba2CoWO6; DFT-FPLMTO method; LSDA+U
Half metallic properties of the quaternary CuFe2GaSe4 chalcogenide compound
Keywords: LSD + U; Quaternary chalcogenide; Magnetic properties; Half metal; FPLAPW; Ab initio calculations; LSDA+U;
Prediction of half-metallic ferromagnetism (HMF) in hypothetical Heusler compound Co2VSb using modified Becke Johnson (mBJ) potential
Keywords: LSD + U; GGA; LSDA+U; mBJ potential; HMF;
Electronic, magnetic and structural properties of the filled skutterudite EuFe4P12: LSDA and LSDA+U calculation
Keywords: LSD + U; DFT; Filled-skutterudites; LSDA+U; FP-LAPW; DOS;
Electronic structures and optic properties of Fe2TiO5 using LSDA+U approach
Keywords: LSD + U; Fe2TiO5; Magnetic properties; Electronic structures; Optical properties; LSDA+U
First-principles study of electronic structure and magnetism of cubic Al1âxErxN using the LSDA+U approach
Keywords: LSD + U; Rare-earth; AlN; LSDA+U;
Hole doping effect on ferromagnetism in Mn-doped ZnO nanowires
Keywords: LSD + U; Diluted magnetic semiconductors; ZnO; Nanowire; LSDA+U
The effect of crystal lattice distortions on the electronic band structure and optical properties of the N,V- and N,Na-doped anatase
Keywords: LSD + U; Dilute magnetic semi-conductors; LMTO; Quantum Espresso; LSDA+U; Electronic band structure; Anatase; Doping; Photocatalyses
The ground states properties and the spin effect on the cubic and hexagonal perovskite manganese oxide BaMnO3: GGA+U calculation
Keywords: LSD + U; Perovskite structure ABO3; Structural properties; Electronic properties; Magnetic properties; Cubic structure; DFT; FP-LAPW; LSDA; GGA; LSDA+U; GGA+U; d-states; Ferromagnetic configuration (FM); Non-spin polarized configuration (NSP); A-type anti-ferromag
Electronic structure and evolution of spin state in YCoO3
Keywords: LSD + U; 71.15.Mb; 71.30. +h; 71.27.+a; 75.25.+zSpin state; LSDA+U; YCoO3
First-principles study of electronic and magnetic properties of TlNiO3
Keywords: LSD + U; TlNiO3; Magnetic property; LSDA+U
The effect of oxygen non-stoichiometry and doping with vanadium on the nature of magnetism in titanium dioxide with the anatase structure
Keywords: LSD + U; Dilute magnetic semiconductors; LSDA+U; Electronic band structure;
Study on the ground state of NiO: The LSDA (GGA)+U method
Keywords: LSD + U; 71.15.Ap; 71.20.−b; 71.27.+aNiO; FLAPW; GGA+U; LSDA+U
Electronic structure of cubic ErxGa1−xN using the LSDA+U approach
Keywords: LSD + U; 71.27.+a; 71.55.Eq; 75.50.Pp.Rare-earth; GaN; LSDA+U
Theoretical investigation of the optical and magneto-optical properties of EuX (X=S, Se, and Te)
Keywords: LSD + U; 71.20.−b; 71.20.Eh; 78.20.Ci; 78.20.LsFP-LAPW; LSDA+U; Optical; MO properties; Dielectric function