Theoretical Investigations of the Structural, Dynamical, Electronic, Magnetic, and Thermoelectric Properties of CoMRhSi (M = Cr, Mn) Quaternary Heusler Alloys

A Hzzazi, H Alqurashi, E Andharia, B Hamad… - Crystals, 2023 - mdpi.com
The structural, dynamical, electrical, magnetic, and thermoelectric properties of Co M RhSi
(M= Cr, Mn) quaternary Heusler alloys (QHAs) were investigated using density functional …

[PDF][PDF] First-principle simulations of inorganic halides Li2TlBiY6 (Y = Cl, Br, I) for optoelectronic applications.

NA Noor, F Nasrullah, U Afzaal, S Mumtaz… - Digest Journal of …, 2024 - chalcogen.ro
For more than six decades, an interesting class of quaternary semiconductors has been the
subject of in-depth research, which is termed halide double perovskites (DPs) or elpasolites …

First Principles Investigation of Electronic, Optical, and Magnetic Properties of MgYb2X4 (X = S, Se, Te)

SSA Shah, G Murtaza, S Khan, S Muhammad… - … of Superconductivity and …, 2023 - Springer
Due to ferromagnetic properties and energy storing ability, MgYb2X4 (X= S, Se, Te) spinel
compounds are found to be interesting due to their promising usages in spintronic …

Investigating the magneto‐electronic, structural, mechanical, and thermodynamic properties of filled skutterudite NdRu4Sb12 and EuRu4Sb12: A first‐principles …

P Kumar, SA Mir, DC Gupta - International Journal of Quantum …, 2022 - Wiley Online Library
The computational approaches are valuable in predicting the ground state properties of
crystalline material. In this study, using the density functional theory, different physical …

Theoretical Investigations of the Structural, Dynamical, Electronic, Magnetic, and Thermoelectric Properties of Coyrhsi (Y= Cr, Mn) Quaternary Heusler Alloys

B Hamad, A Hzzazi, H Alqurashi, E Andharih… - … Properties of Coyrhsi … - papers.ssrn.com
The structural, dynamical, electrical, magnetic, and thermoelectric properties of CoYRhSi
(Y= Cr, Mn) quaternary Heusler alloys (QHAs) were investigated by using a density …

Probing the Effect of Zn2+ on the Local Structure, Dielectric and Magnetic Properties of La2cumno6 by Solid State Synthesis

DK Mahato, DN Singh, MK Shamim, G Panchal… - Dielectric and Magnetic … - papers.ssrn.com
The comparable ionic-radius cation substitution provides a route to investigate the origin of
the physical properties of ceramics on the local structure and electronic charge state …

[PDF][PDF] Scrutinizing the Stability and Exploring the Dependence of Thermoelectric Properties on Band Structure of 3d Metal-Based Double Perovskites: An ab-initio …

SA Mir, DC Gupta - 2021 - scholar.archive.org
Through the conventional DFT computation, we have designed new oxide double
perovskites Ba2BNiO6 (B= Fe and Co). The structural and thermodynamic stabilities are de …

Investigation of structural, electro-magnetic properties of 5f-electron system Cs2NaBkCl6

SA Mir, S Yousuf, TM Bhat, S Singh, P Kumar… - AIP Conference …, 2020 - pubs.aip.org
Half-metallic ferromagnets represent a class of materials exhibiting 100% spin polarization
at Fermi level are suitable applicants for spintronic technology. In search of efficient half …