First-principles calculations to investigate structural, optoelectronics and thermoelectric properties of lead free Cs2GeSnX6 (X= Cl, Br)
D Behera, SK Mukherjee - Materials Science and Engineering: B, 2023 - Elsevier
In the present investigation, we examined the structural, elastic, electronic, optical as well as
thermoelectric features of Cs 2 GeSnX 6 (X= Cl, Br) double perovskite compounds …
thermoelectric features of Cs 2 GeSnX 6 (X= Cl, Br) double perovskite compounds …
First-principle investigations on optoelectronics and thermoelectric properties of lead-free Rb2InSbX6 (X = Cl, Br) double perovskites: for renewable energy …
In the current study, we analyzed the structural, mechanical, optoelectronics as well as
transport characteristics of double perovskite Rb2InSbX6 (X= Cl, Br) employing the FP …
transport characteristics of double perovskite Rb2InSbX6 (X= Cl, Br) employing the FP …
First principles studies on optoelectronics and transport properties of KSrY (Y= Sb, Bi) for renewable energy application
D Behera, S Al-Qaisi, M Manzoor, R Sharma… - Materials Science and …, 2023 - Elsevier
Currently, producing equipment and goods of all kinds that are economical, energy-efficient,
and ecologically friendly is the main objective. In this study, an attempt has been made to …
and ecologically friendly is the main objective. In this study, an attempt has been made to …
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) …
First-principle analysis of optical and thermoelectric properties in alkaline-based perovskite compounds AInCl3 (A = K, Rb)
This study utilized density functional theory (DFT) within Wien2K code to assess the physical
characteristics of cubic halide perovskites AInCl3 (A= Rb, K). Structural optimization was …
characteristics of cubic halide perovskites AInCl3 (A= Rb, K). Structural optimization was …
[HTML][HTML] First-principles studies on the physical properties of the Half Heusler RbNbCd and RbNbZn compounds: a promising material for thermoelectric applications
This work focuses on study of the structural, electronic, thermodynamic and thermoelectric
properties of RbNbCd and RbNbZn Half Heusler (HH), utilizing a full-potential linearized …
properties of RbNbCd and RbNbZn Half Heusler (HH), utilizing a full-potential linearized …
Vibrational, mechanical, electronic and thermodynamic properties of rhenium-based perovskites XReO3 (X= Li, Be) by an ab-initio computation
First-principles density functional theory calculations were used to determine the structural,
elastic, electronic and thermodynamic properties of XReO 3 (X= Li, Be) cubic perovskite …
elastic, electronic and thermodynamic properties of XReO 3 (X= Li, Be) cubic perovskite …
[HTML][HTML] Theoretical insights into the structural, optoelectronic, thermoelectric, and thermodynamic behavior of novel quaternary LiZrCoX (X= Ge, Sn) compounds …
M Kumari, JA Abraham, R Sharma, D Behera… - RSC …, 2023 - pubs.rsc.org
The structural, magnetic, electronic, elastic, vibrational, optical, thermodynamic as well as
thermoelectric properties of newly predicted quaternary LiZrCoX (X= Ge, Sn) Heusler …
thermoelectric properties of newly predicted quaternary LiZrCoX (X= Ge, Sn) Heusler …
[HTML][HTML] Exploring the mechanical, vibrational optoelectronic, and thermoelectric properties of novel half-Heusler FeTaX (X= P, As): a first-principles study
In this study, the density functional theory (DFT) was employed to study the structural,
electronic, optical, and thermoelectric characteristics of half-Heusler (HH) FeTaX (X= P or …
electronic, optical, and thermoelectric characteristics of half-Heusler (HH) FeTaX (X= P or …
Investigation of optoelectronic and thermoelectric properties of novel BaCd2X2 (X= P, As, Sb) Zintl-phase for energy harvesting applications
AI Aljameel, GM Mustafa, B Younas, HD Alkhaldi… - Journal of Physics and …, 2024 - Elsevier
The quest for new Zintl phases with promising thermoelectric properties has gained
significant momentum recognitions to the precision of computational predictions. Our study …
significant momentum recognitions to the precision of computational predictions. Our study …