First principle study of the structural and optoelectronic properties of cubic perovskites CsPbM3 (M= Cl, Br, I)
The highly accurate all electrons full potential linearized augmented plane wave method is
used to calculate structural, electronic, and optical properties of cubic perovskites CsPbM 3 …
used to calculate structural, electronic, and optical properties of cubic perovskites CsPbM 3 …
First-principles investigation of structural, elastic, thermodynamic, electronic and optical properties of lead-free double perovskites halides: Cs2LiYX6 (X= Br, I)
We present a comprehensive first-principles study on the physical properties of the lead-free
double perovskites halides, Cs 2 LiYX 6 (X= Br, I). Our calculated results of lattice constants …
double perovskites halides, Cs 2 LiYX 6 (X= Br, I). Our calculated results of lattice constants …
Ab-initio calculations of structural, optoelectronic, thermoelectric, and thermodynamic properties of mixed-halide perovskites RbPbBr3− xIx (x= 0 to 3): applicable in …
In the present research work, we have examined the variations in the structural, electronic,
optical, thermoelectric, and thermodynamic properties of mixed halide perovskites, RbPbBr …
optical, thermoelectric, and thermodynamic properties of mixed halide perovskites, RbPbBr …
Ab initio study of the bandgap engineering of Al1− xGaxN for optoelectronic applications
A theoretical study of Al 1− x Ga x N, based on the full-potential linearized augmented
plane wave method, is used to investigate the variations in the bandgap, optical properties …
plane wave method, is used to investigate the variations in the bandgap, optical properties …
Investigation of structural and optoelectronic properties of BaThO3
Structural and optoelectronic properties of BaThO3 cubic perovskite are calculated using all
electrons full potential linearized augmented plane wave (FP-LAPW) method. Wide and …
electrons full potential linearized augmented plane wave (FP-LAPW) method. Wide and …
Density functional theory based study of the physical properties of cesium based cubic halide perovskites CsHgX3 (X═F and Cl)
Structural, elastic, electronic, and optical properties of Cs‐based halide perovskite
compounds CsHgX3 (X═ F and Cl) are computed in the framework of density functional …
compounds CsHgX3 (X═ F and Cl) are computed in the framework of density functional …
Structural, electronic and optical properties of strontium and nickel co-doped BaTiO3: A DFT based study
M Hasan, AKMA Hossain - Computational Condensed Matter, 2021 - Elsevier
Density functional theory-based investigation of the structural, electronic, and optical
properties of pristine and strontium, nickel doped barium titanate has been carried out by the …
properties of pristine and strontium, nickel doped barium titanate has been carried out by the …
Electronic band structures of the highly desirable III–V semiconductors: TB-mBJ DFT studies
The correct band gaps of semiconductors are highly desirable for their effective use in
optoelectronic and other photonic devices. However, the experimental and theoretical …
optoelectronic and other photonic devices. However, the experimental and theoretical …
[PDF][PDF] Structural, Elastic, Electronic, and Optical Properties of Cubic Perovskite Compound: An ab initio Study
K Ephraim Babu, N Murali, K Vijaya Babu… - … Physica Polonica A, 2014 - bibliotekanauki.pl
Structural, elastic, electronic, and optical properties of cubic perovskite CsCaCl_3 are
calculated using the full-potential linearized augmented plane wave method in the density …
calculated using the full-potential linearized augmented plane wave method in the density …
Opto-electronic response of spinels MgAl2O4 and MgGa2O4 through modified Becke-Johnson exchange potential
A first-principles technique capable of describing the state accurately near to excited states
of semiconductors and insulators, namely the modified Becke-Johnson (mBJ) exchange …
of semiconductors and insulators, namely the modified Becke-Johnson (mBJ) exchange …