Study of the formation effect of the cubic phase of LiTiO2 on the structural, optical, and mechanical properties of Li2±x Ti1±x O3 ceramics with different contents of the …
DI Shlimas, AL Kozlovskiy, MV Zdorovets - Journal of Materials Science …, 2021 - Springer
The paper presents the results of the study of structural, morphological, optical, and
mechanical properties of lithium-containing ceramics obtained using the method of …
mechanical properties of lithium-containing ceramics obtained using the method of …
[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 …
First-principles calculations to investigate ultra-wide bandgap semiconductor behavior of NaMgF3 fluoro-perovskite with external static isotropic pressure and its …
The structural, electronic, and optical properties of cubic fluoro-perovskite NaMgF 3 were
investigated theoretically at pressures ranging from 0 to 100 GPa with a 10-step escalation …
investigated theoretically at pressures ranging from 0 to 100 GPa with a 10-step escalation …
[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 …
First-principles calculations to explore the metallic behavior of semiconducting lead-free halide perovskites RbSnX3 (X = Cl, Br) under pressure
The ab initio calculations of structural, electronic, mechanical, and optical properties of
rubidium-based halide perovskites RbSnX3 (X= Cl, Br) have been performed under different …
rubidium-based halide perovskites RbSnX3 (X= Cl, Br) have been performed under different …
Optical and electronic properties of defect chalcopyrite ZnGa2Se4: Experimental and theoretical investigations
SG Asadullayeva, NA Ismayilova… - Solid State …, 2022 - Elsevier
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, 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 …
First-principles calculations to investigate structural, magnetic, optical, electronic and thermoelectric properties of X2MgS4 (X= Gd, Tm) spinel sulfides
Full potential linearized augmented plan wave (FP-LAPW) method based on density
functional theory (DFT) is used to explore the optoelectronic, structural, thermo-electric and …
functional theory (DFT) is used to explore the optoelectronic, structural, thermo-electric and …