Study of optoelectronic and thermoelectric properties of double perovskites Rb2AgBiX6 (X= Br, I): by DFT approach

AM Mebed, S Al-Qaisi, MA Ali - The European Physical Journal Plus, 2022 - Springer
From the last few decades, double perovskites are becoming the merging materials for solar
cells and renewable energy applications. Here in this article, we have explored the …

Exploring the structural, Mechanical, electronic, optical, and thermoelectric properties of Cesium-based double perovskite Cs2GeSnX6 (X= Cl, Br, I) compounds: A …

D Abdullah, DC Gupta - Materials Science in Semiconductor Processing, 2023 - Elsevier
Abstract The Cubic Cs 2 GeSnX 6 (X= Cl, Br, I) double perovskite's structural, thermoelectric,
electronic, and optical properties are examined within the framework of density functional …

Exploring the half-metallic ferromagnetism, dynamical and mechanical stability, optoelectronic and thermoelectric properties of K2NaMI6 (M = Mn, Co, Ni) for …

D Abdullah, DC Gupta - Scientific Reports, 2023 - nature.com
The structural stability, optoelectronic and magnetic characteristics of K2NaMI6 (M= Mn, Co,
and Ni) halide double perovskites have been demonstrated to be explained using density …

DFT study of double perovskites Cs2AgBiX6 (X= Cl, Br): an alternative of hybrid perovskites

NH Alotaibi, GM Mustafa, NA Kattan… - Journal of Solid State …, 2022 - Elsevier
The double perovskites are promising materials for renewable energy to fulfil the challenges
of energy requirements in the world. Therefore, in this article, the optical, thermoelectric …

Theoretical investigation of X2NaIO6 (X= Pb, Sr) double perovskites for thermoelectric and optoelectronic applications

A Aziz, SA Aldaghfag, M Zahid, J Iqbal… - Physica B: Condensed …, 2022 - Elsevier
The full-potential linearized augmented plane wave (FP-LAPW) method was used to
evaluate the structural, optical, electronic, and thermoelectric (TE) characteristics of X 2 NaIO …

Theoretical investigation of physical properties of Sr2XNbO6 (X = La, Lu) double perovskite oxides for optoelectronic and thermoelectric applications

A Hanif, SA Aldaghfag, A Aziz… - … Journal of Energy …, 2022 - Wiley Online Library
Summary The cubic Sr2XNbO6 (X= La, Lu) double perovskite oxides (DPOs) have been
examined by density functional theory (DFT). Structural, elastic, electronic, thermoelectric …

Half metallic ferroamgnetism, and transport properties of vacancy ordered double perovskites Rb2 (Os/Ir) X6 (X= Cl, Br) for spintronic applications

GM Mustafa, M Hassan, NM Aloufi, S Saba… - Ceramics …, 2022 - Elsevier
The defected double perovskites, being non-toxic, stable, and capable to exhibit both spin-
up (↑) and spin-down (↓) polarizations, are attractive for spintronic devices. In the present …

Half-metallic ferromagnetic and optical properties of YScO3 (Y= Ni, Pd, and Pt) perovskite: A first principles study

H Kerrai, A Zaim, M Kerouad - Vacuum, 2024 - Elsevier
In this paper, we investigate the electronic, magnetic, and optical properties of scandium
based ternary oxides perovskite YScO 3 (Y= Ni, Pd, Pt). We employ the Tran and Blaha …

Study of excitonic effects, 3D-elastic, optoelectronic and thermoelectric properties of new inorganic double perovskites CsKAgSbX6 (X = Cl, Br) for solar cell …

A Harbi, A Aziz, RK **ak, Y Toual… - Journal of Materials …, 2024 - Springer
Novel halide double perovskites CsKAgSbX6 (X= Cl, Br) have been theoretically
investigated in the current study to determine their optoelectronic, elastic, and thermoelectric …

The pressure-induced mechanical and optoelectronic behavior of cubic perovskite PbSnO3 via ab-initio investigations

NA Noor, Q Mahmood, M Rashid, BU Haq, A Laref - Ceramics International, 2018 - Elsevier
The density functional theory based full-potential linear-augmented-plane-wave plus local-
orbital method has been used to study the physical properties of PbSnO 3 in hypothetical …