Mechanical, magneto-electronic and thermoelectric properties of Ba2MgReO6 and Ba2YMoO6 based cubic double perovskites: an ab initio study

ME Ketfi, SS Essaoud, SM Al Azar, AY Al-Reyahi… - Physica …, 2023 - iopscience.iop.org
We report an analysis of the structural, electronic, mechanical, and thermoelectric properties
of oxide double perovskite structures, specifically the compounds Ba 2 MgReO 6 and Ba 2 …

Tunability of half metallicity and thermoelectric indicators in Na2TaX6 (X= Cl, Br) vacancy ordered double perovskites

MA Yasir, GM Mustafa, MA Ameer, NA Noor… - Materials Science and …, 2025 - Elsevier
With the growing development in spintronics and thermoelectrics, researchers across the
globe are extensively trying to fabricate and characterize novel materials. In this regard, the …

Electronic structures, thermal properties and molecular dynamics of CsGdCl3 and CsNdCl3 perovskite crystals by first-principles calculations

A Suzuki, T Oku - Journal of Physics and Chemistry of Solids, 2024 - Elsevier
Lanthanide-based perovskite crystals have been characterized for proposing material
design guidelines of perovskite solar cell with stability of photovoltaic performance. The …

Study of optoelectronic, magnetic, and thermoelectric properties of Sr2XOsO6 (X= Y, Lu, Sc) double perovskites for spintronic and data storage devices

M Zanib, MW Iqbal, NA Noor, NA Ismayilova - Materials Chemistry and …, 2025 - Elsevier
Advancement in electronic device miniaturization coupled with the precise control over their
electromagnetic and transport properties, holds great promise for realizing practical …

First principles study on the structural, electronic, mechanical and optical properties of Pb-free double perovskites M2FeMnO6 (M= Rb, Cs)

SM AL-Shomar, K Husain, AD Khan… - Inorganic Chemistry …, 2024 - Elsevier
The researchers are looking for efficient smart materials to cope with the energy crisis. In this
regard, double perovskites are extensively studied for various technological advantages. In …

A first-principles investigation of the structural, optoelectronic, elastic and thermal properties of the p-type half-metallic ferromagnetic perovskites BaFeX3 (X= Cl, Br, I)

F Noor, A Kabir, MDT Mahmud - Physica Scripta, 2024 - iopscience.iop.org
The half-metallic nature of the metal halide perovskites BaFeX 3 (X= Cl, Br, I) and their
physical properties were studied using Spin-polarised Density Functional Theory …

First Principles Studies on the Structural and Electro-Magnetic Properties of Lead-Free Nickel-Based Chloride Perovskite

T Atsue, OE Oyewande - Available at SSRN 4502790 - papers.ssrn.com
Transition metal-based perovskite materials have been found to exhibit half-metallic
behavior as required for spintronic applications. This study investigates relevant properties …