Half-metallic double perovskite oxides: recent developments and future perspectives

Q Tang, X Zhu - Journal of Materials Chemistry C, 2022 - pubs.rsc.org
The continuous miniaturization of charge-based electronic devices and overcoming the
bottleneck of Moore's law have driven the rapid growth of spintronics, spintronics operates …

Density functional theory study of structural, electronic, optical, mechanical, and thermodynamic properties of halide double perovskites Cs2AgBiX6 (X= Cl, Br, I) for …

MA Rehman, J ur Rehman, MB Tahir - Journal of Physics and Chemistry of …, 2023 - Elsevier
In recent years, double perovskite materials have been considered potential candidates for
different applications. Therefore, in this study, we investigated the structural, electronic …

Ab-initio calculations on structural, electronic, half-metallic and optical properties of Co-, Fe-, Mn- and Cr-doped

S Berri - Pramana, 2021 - Springer
Full potential-linearised augmented plane wave (FP-LAPW) method is used to study the
structural, electronic, half-metallic and optical properties of Ba _ 2 LuTaO _ 6 Ba 2 LuTaO 6 …

Spin-polarized analysis of the magneto-electronic, mechanical and optical response of double perovskites Cs2XCeI6 (X= Li, Na): A DFT study

H Murtaza, Q Ain, J Munir, AS Aldwayyan… - Materials Science in …, 2024 - Elsevier
Magnetic double perovskites have garnered significant interest due to their unique magnetic
properties and are promising candidates for various spintronic applications. Spin-polarized …

Thermoelectric, structural, optoelectronic and magnetic properties of double perovskite Sr2CrTaO6: first principle study

S Haid, W Benstaali, A Abbad, B Bouadjemi… - Materials Science and …, 2019 - Elsevier
Using the full-potential linearized augmented plane wave method (FP-LAPW) based on the
density functional theory (DFT) as implemented in the Wien2k package, first principles …

Structural, elastic, mechanical, and thermodynamic characteristic of NaReO3 and KReO3 perovskite oxides from first principles study

D Behera, A Dixit, K Kumari, A Srivastava… - The European Physical …, 2022 - Springer
The density functional theory was used in the present study to analyse the structural,
electronic, mechanical and thermodynamic properties of the perovskite oxides XReO3 …

Investigation of Iron-based double perovskite oxides on the magnetic phase stability, mechanical, electronic and optical properties via first-principles calculation

H Rached, S Bendaoudia, D Rached - Materials Chemistry and Physics, 2017 - Elsevier
The main goal of the present work is to obtain report on the magnetic phase stability,
mechanical, electronic and optical properties of double perovskite oxides Pb 2 FeMO 6 (M …

Electronic structure and optical response of double perovskite Rb2NaCoF6 for optoelectronic devices

MU Din, J Munir, M Jamil, MA Saeed, Q Ain - Physica B: Condensed Matter, 2022 - Elsevier
The bonding nature, structural, electrical, and optical properties of Rb 2 NaCoF 6 has been
investigated using density functional theory (DFT) calculations in this communication. The …

DFT study of electronic, optical, and elastic properties of double perovskites Rb2YAgX6 (X= Br, I) compounds for opto-electronic device applications

M Manzoor, NA Noor, MW Iqbal, M Rashid… - Physica …, 2023 - iopscience.iop.org
Density functional theory calculations have been used to investigate the electrical, optical,
and elastic characteristics of double perovskites Rb 2 YAgX 6 (X= Br, I) halides for exploring …

Structural, elastic, mechanical, electronic, magnetic, thermoelectric and thermodynamic investigation of half metallic double perovskite oxide Sr2MnTaO6

SA Dar, V Srivastava, UK Sakalle - Journal of Magnetism and Magnetic …, 2019 - Elsevier
Experimental lattice constant has been used for theoretical predictions on structural, elastic,
mechanical, electronic magnetic thermoelectric and thermodynamic properties of Sr 2 …