Physical studies of spintronics-based Heusler alloys
This is to review the structural, elastic, optoelectronic, mechanical, thermodynamic, and
magnetic properties of different half-and full-Heusler compounds such as NiTiX and CoVX …
magnetic properties of different half-and full-Heusler compounds such as NiTiX and CoVX …
First-principles calculations to investigate structural, electronics, optical and elastic properties of Sn-based inorganic Halide-perovskites CsSnX3 (X= I, Br, Cl) for solar …
The structural, electronic, optical, and elastic properties of cubic inorganic-perovskites
CsSnX 3 (where X= I, Br, Cl) based on Sn were investigated using a Density Functional …
CsSnX 3 (where X= I, Br, Cl) based on Sn were investigated using a Density Functional …
[HTML][HTML] First-principles calculations to investigate structural, electronic, optical, and magnetic properties of a scintillating double perovskite halide (Cs2LiCeCl6)
In this study, the investigations of structural, electronic, optical, and magnetic properties of a
scintillating double perovskite halide (Cs 2 LiCeCl 6) by using the full-potential linearized …
scintillating double perovskite halide (Cs 2 LiCeCl 6) by using the full-potential linearized …
[HTML][HTML] First-principles investigation of effects of defects on the physical properties of 3C-SiC under high temperatures and pressures
T Fan, W Liu, Z Ruan, Y Cao, T Ye, J Liu… - Journal of Materials …, 2022 - Elsevier
The effects of intrinsic and substitutional point defects MX (M= Li, Na, Mg, Al, K, Sc, Tb, Dy,
Ho, Er; X= C, Si) and NM X (NM= H, B, N, P, S) on the formation energy, mechanical and …
Ho, Er; X= C, Si) and NM X (NM= H, B, N, P, S) on the formation energy, mechanical and …
Band gap tuning of non-toxic Sr-based perovskites CsSrX3 (X= Cl, Br) under pressure for improved optoelectronic applications
For technological applications in optoelectronic devices, non-toxic halide perovskite
materials' have crucial inherent and enhanced properties. From this perspective, the current …
materials' have crucial inherent and enhanced properties. From this perspective, the current …
[HTML][HTML] Pressure dependence of structural, elastic, electronic, thermodynamic, and optical properties of van der Waals-type NaSn2P2 pnictide superconductor …
NaSn 2 P 2 is a recently discovered superconducting system belonging to a particular class
of materials with van der Waals (vdW) structure. There is enormous interest in vdW …
of materials with van der Waals (vdW) structure. There is enormous interest in vdW …
Optical and electronic properties of defect chalcopyrite ZnGa2Se4: Experimental and theoretical investigations
The optical properties of ZnGa 2 Se 4 single crystals obtained by gas transport reaction have
been systematically explored using ellipsometry measurements and first-principles …
been systematically explored using ellipsometry measurements and first-principles …
First-principles calculations to investigate variation in the bandgap of NaSrF3 Fluoro-Perovskite with external static isotropic pressure and its Impact on optical …
The theoretical investigation of NaSrF 3 fluoro-perovskite is carried out using ultra-soft
pseudo-potential USP plane wave and Perdew Burke Ernzerhof (PBE) exchange …
pseudo-potential USP plane wave and Perdew Burke Ernzerhof (PBE) exchange …
First-principles calculations to investigate structural, electronic, magnetic, mechanical and thermodynamic properties of Half-Heusler alloy CoMnTe: Using GGA and …
Y Toual, S Mouchou, A Azouaoui, A Harbi… - Materials Chemistry and …, 2023 - Elsevier
In this paper, we study the structural, electronic, magnetic, mechanical and thermal
properties of Half-Heusler CoMnTe, using the Density Functional Theory (DFT) with the …
properties of Half-Heusler CoMnTe, using the Density Functional Theory (DFT) with the …
First-principles calculations to investigate structural, elastic, electronic, and optical properties of XSrCl3 (X= Li, Na)
The computational analysis of the compounds XSr Cl 3 X= Li and Na is the subject of this
research work. We utilized Density Functional Theory (DFT) to analyze the structural, optical …
research work. We utilized Density Functional Theory (DFT) to analyze the structural, optical …