Investigation of heavy thallium perovskites TlGeX3 (X= Cl, Br and I) for optoelectronic and thermoelectric applications: A DFT study
The present investigation aims to explore the structural, electronic, elastic, optical and
thermoelectric properties of germanium-based heavy thallium halide perovskites TlGeX 3 …
thermoelectric properties of germanium-based heavy thallium halide perovskites TlGeX 3 …
Ab initio study of structural, elastic, electronic, optical and thermoelectric properties of cubic Ge-based fluoroperovskites AGeF3 (A= K, Rb and Fr)
Structural, elastic, electronic, optical and thermoelectric properties of fluoroperovskites AGeF
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …
Appealing perspectives of the structural, electronic, elastic and optical properties of LiRCl 3 (R= Be and Mg) halide perovskites: a DFT study
To enhance the effectiveness of materials, we are motivated to investigate lithium-based
halide perovskites LiRCl3 (where R= Be and Mg) using first-principles techniques based on …
halide perovskites LiRCl3 (where R= Be and Mg) using first-principles techniques based on …
Probing the physical properties of M 2 LiCeF 6 (M= Rb and Cs) double perovskite compounds for prospective high-energy applications employing the DFT framework
Herein, the optoelectronic, structural, thermoelectric, and elastic characteristics of M2LiCeF6
(M= Rb and Cs) double perovskite compounds were investigated using ab initio modeling in …
(M= Rb and Cs) double perovskite compounds were investigated using ab initio modeling in …
[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 …
Machine learning approach for predicting electrical features of Schottky structures with graphene and ZnTiO3 nanostructures doped in PVP interfacial layer
In this research, for some different Schottky type structures with and without a
nanocomposite interfacial layer, the current–voltage (I–V) characteristics have been …
nanocomposite interfacial layer, the current–voltage (I–V) characteristics have been …
A DFT study of structural and electronic properties of cubic thallium based fluoroperovskites TlBF3 (BGe, Sn, Pb, Zn, Cd, Hg, Mg, Ca, Sr, Ba)
RK Pingak - Computational Condensed Matter, 2022 - Elsevier
This study aims to use Density Functional Theory (DFT) to investigate structural and
electronic properties of cubic fluoroperovskites TlBF 3 (B= Ge, Sn, Pb, Zn, Cd, Hg, Mg, Ca …
electronic properties of cubic fluoroperovskites TlBF 3 (B= Ge, Sn, Pb, Zn, Cd, Hg, Mg, Ca …
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 …
[HTML][HTML] Electronic structure, mechanical, optical and thermodynamic properties of cubic perovskite InBeF3 with pressure effects: first-principles calculations
J Zhang, Y Chen, S Chen, J Hou, R Song, ZF Shi - Results in Physics, 2023 - Elsevier
The electronic structure, mechanical, optical and thermodynamic properties of cubic
fluoroperovskite InBeF 3 under high pressure were studied for the first time. The lattice …
fluoroperovskite InBeF 3 under high pressure were studied for the first time. The lattice …
Structural, electronic, and optical characteristics of BaXCl3 (X= Li, Na) perovskites
The structural, electronic, and optical characteristics of the perovskites BaXCl 3 (X= Li, Na)
were thoroughly explored utilizing the full potential linear augmented plane wave approach …
were thoroughly explored utilizing the full potential linear augmented plane wave approach …