Investigation of the structural, elastic, electronic, and optical properties of half-heusler CaMgZ (Z= C, Si, Ge, Sn, Pb) compounds

A Saim, F Belkharroubi, FZ Boufadi, I Ameri… - Journal of Electronic …, 2022 - Springer
The structural, elastic, electronic, and optical properties of half-Heusler CaMgZ (Z= C, Si, Ge,
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …

Investigation of heavy thallium perovskites TlGeX3 (X= Cl, Br and I) for optoelectronic and thermoelectric applications: A DFT study

S Bouhmaidi, MB Uddin, RK Pingak, S Ahmad… - Materials Today …, 2023 - Elsevier
The present investigation aims to explore the structural, electronic, elastic, optical and
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)

S Bouhmaidi, RK Pingak, A Azouaoui, A Harbi… - Solid State …, 2023 - Elsevier
Structural, elastic, electronic, optical and thermoelectric properties of fluoroperovskites AGeF
3 (A= K, Rb, and Fr) have been investigated using Density Functional Theory (DFT) …

[HTML][HTML] First-principles investigation on the structural, electronic, mechanical and optical properties of silver based perovskite AgXCl3 (X= Ca, Sr)

UA Khan, NU Khan, AH Alghtani, V Tirth… - Journal of Materials …, 2022 - Elsevier
Structural, electronic, optical and elastic properties of Silver based Perovskite AgXCl 3 (X=
Ca, Sr) are studied by utilizing wien2k package with in DFT. The structural investigation …

First-principles calculations on structural, electronic, elastic, optical and thermoelectric properties of thallium based chloroperovskites TlMCl3 (M= Zn and Cd)

S Bouhmaidi, A Azouaoui, N Benzakour… - Computational …, 2022 - Elsevier
In this work, we have studied the structural, electronic, elastic, optical and thermoelectric
properties of Tl-based chloroperovskite materials TlMCl 3 (M= Zn and Cd) in the cubic …

Pressure-driven modification of optoelectronic features of ACaCl3 (A= Cs, Tl) for device applications

TI Asif, M Saiduzzaman, KM Hossain, IK Shuvo… - Heliyon, 2024 - cell.com
Intending to advance the use of halide-perovskites in technological applications, in this
research, we investigate the structural, electronic, optical, and mechanical behavior of metal …

Investigation of structural, opto-electronic and thermoelectric properties of titanium based chloro-perovskites XTiCl 3 (X= Rb, Cs): a first-principles calculations

NU Khan, UA Khan, V Tirth, JY Al-Humaidi, MS Refat… - RSC …, 2023 - pubs.rsc.org
Perovskites are a significant class of materials with diverse uses in modern technology. The
structural, electronic, elastic, thermoelectric, and optical properties of RbTiCl3 and CsTiCl3 …

Impact of magnetic dipole on flow and heat transfer of AA7072-AA7075/water based nanofluid over a stretching sheet using Koo and Kleinstreuer model

K Ganesh Kumar - The European Physical Journal Plus, 2022 - Springer
This paper deals with stream lime analysis on AA7072-AA7075 alloys due to a sheet. The
relevant system of the flow configuration is considered using stretching surface geometry in …

Density functional theory based study of the physical properties of cesium based cubic halide perovskites CsHgX3 (X═F and Cl)

M Arif, AH Reshak, SU Zaman, M Husain… - … Journal of Energy …, 2022 - Wiley Online Library
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 …

The study of optical and thermoelectric behaviour of thalium based flouropervoskite (TlSiF3) for photovoltaic and renewable energy applications by DFT

R Yadav, A Srivastava, R Sharma, JA Abraham… - Journal of Solid State …, 2022 - Elsevier
In the present study, structural, electronic, optical, thermodynamic and thermoelectric
properties of perovskites TlSiF 3 are explored using first-principles calculations based on …