First principles study of the structural, elastic, magneto-electronic and thermoelectric properties of double perovskite Ba2ZrFeO6 in ferrimagnetic phase

M Caid, Y Rached, D Rached, H Rached - Computational Condensed …, 2023 - Elsevier
In this work, we employed the full-potential linearized augmented plane wave (FP-LAPW)
method to study the stability, magneto-electronic and thermoelectric properties of double …

Exploring the optoelectronic attributes, thermoelectric and photocatalytic potential of double perovskites Cs2BB'H6 (B= Al, Na and B'= Tl, In): A DFT study

H Murtaza, Q ul Ain, J Munir, HM Ghaithan… - Materials Science and …, 2024 - Elsevier
Abstract Double perovskites Cs 2 BB'H 6 (B= Al, Na and B'= Tl, In) have been scrutinized by
employing density functional theory to calculate their electronic structures, thermodynamic …

Structural, elastic, electronic, optical and thermoelectric response of lead-free double perovskite Rb2TlInX6 (X= Cl, I) for energy storage devices: DFT+ SOC …

MU Din, Q Ain, M Yousaf, J Munir - Materials Science in Semiconductor …, 2022 - Elsevier
Abstract Double perovskites Rb 2 TlInX 6 (X= Cl, I) have been simulated with the help of
density functional theory to determine their structural, elastic, electronic, optical and thermal …

A computational insight into Rb2ASbX6 (A= Tl, Cu & X= I, Cl) double perovskites for energy storage and optoelectronic applications

SMH Qaid, M Jamil, J Munir, HM Ghaithan… - Physica …, 2023 - iopscience.iop.org
Double perovskites are considered to be outstanding materials for encountering the energy
crises faced by the world community. This article comprehensively addresses the electronic …

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 …

Electron-Phonon Coupling in High-Temperature Cuprate Superconductors<? format?> Determined from Electron Relaxation Rates

C Gadermaier, AS Alexandrov, VV Kabanov, P Kusar… - Physical review …, 2010 - APS
We determined electronic relaxation times via pump-probe optical spectroscopy using sub-
15 fs pulses for the normal state of two different cuprate superconductors. We show that the …

Long-range Ni/Mn structural order in epitaxial double perovskite thin films

MP Singh, KD Truong, S Jandl, P Fournier - Physical Review B—Condensed …, 2009 - APS
We report and compare the structural, the magnetic, and the optical properties of ordered La
2 NiMnO 6 thin films and its disordered LaNi 0.5 Mn 0.5 O 3 counterpart. An x-ray diffraction …

[HTML][HTML] Cerium-Doped CoMn2O4 Spinels as Highly Efficient Bifunctional Electrocatalysts for ORR/OER Reactions

X Chen, F Han, X Chen, C Zhang, W Gou - Catalysts, 2022 - mdpi.com
Low-cost and highly efficient electrocatalysts for oxygen reactions are highly important for
oxygen-related energy storage/conversion devices (eg, solar fuels, fuel cells, and …

Magnetic and thermoelectric properties of ordered double perovskite Ba2FeMoO6

O Sahnoun, H Bouhani-Benziane, M Sahnoun… - Journal of Alloys and …, 2017 - Elsevier
The structural, magnetic and electronic properties of ordered double perovskite Ba 2 FeMoO
6 has been calculated with the full potential linearized augmented plane wave (FPLAPW) …

Structural stability and evolution of half-metallicity in Ba 2 CaMoO 6: interplay of hole-and electron-doping

S Faiza-Rubab, S Naseem, SM Alay-e-Abbas… - Physical Chemistry …, 2021 - pubs.rsc.org
Half-metallic ferromagnetic materials have attracted a lot of attention due to their probable
technological applications in spintronics. In this respect, doping plays a crucial role in …