[HTML][HTML] First-principles calculations to investigate structural, elastic, electronic, thermodynamic, and thermoelectric properties of CaPd3B4O12 (B= Ti, V) perovskites
This study has explored numerous physical properties of CaPd 3 Ti 4 O 12 (CPTO) and
CaPd 3 V 4 O 12 (CPVO) quadruple perovskites employing the density functional theory …
CaPd 3 V 4 O 12 (CPVO) quadruple perovskites employing the density functional theory …
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 …
Electronic, magnetism and optical properties of transition metals adsorbed puckered arsenene
Z Cui, M Wang, N Lyu, S Zhang, Y Ding… - Superlattices and …, 2021 - Elsevier
The optical, magnetism and electronic characteristics of 16 types of transition metals
adsorbed puckered arsenene (TM-arsenene) were investigated by the first principles …
adsorbed puckered arsenene (TM-arsenene) were investigated by the first principles …
[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 …
Cd0. 9Co0. 1S nanostructures concentration study on the structural and optical properties of SWCNTs/PVA blend
In the current work, the effect of Cd 0.9 Co 0.1 S nanostructures concentration as fillers on
the structure and optical properties of single-walled carbon nanotubes/polyvinyl alcohol …
the structure and optical properties of single-walled carbon nanotubes/polyvinyl alcohol …
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 …