High Pressure-Temperature study on thermodynamics, half-metallicity, transport, elastic and structural properties of Co-based Heusler alloys: A first-principles study

SA Sofi, DC Gupta - Journal of Solid State Chemistry, 2020 - Elsevier
Employing first-principles based on density functional theory, we have investigated
thermodynamics, half-metallicity, transport, elastic and structural properties of Co 2 ScSb …

Exploration of highly correlated Co‐based quaternary Heusler alloys for spintronics and thermoelectric applications

AQ Seh, DC Gupta - International Journal of Energy Research, 2019 - Wiley Online Library
The half‐metallic character of new quaternary Heusler alloys CoXMnAs (X= Ru, Rh) is
established along with their thermoelectric, mechanical, and thermodynamic properties. The …

First-principles calculations to investigate structural stability, half-metallic behavior, thermophysical and thermoelectric properties of Co2YAl (Y= Mo, Tc) full Heusler …

A Kumar, SA Sofi, T Chandel, N Thakur - Computational and Theoretical …, 2023 - Elsevier
The present manuscript reports structural stability, half-metallic behavior, thermophysical
and thermoelectric properties of Co 2 MoAl and Co 2 TcAl full Heusler compounds using first …

First-principles computation of new series of quaternary Heusler alloys CoScCrZ (Z= Al, Ga, Ge, In): a study of structural, magnetic, elastic and thermal response for …

M Shakil, H Arshad, M Zafar, M Rizwan… - Molecular …, 2020 - Taylor & Francis
Various physical properties of CoScCrZ (Z= Al, Ga, Ge, In) Heusler alloys (HAs) are
examined using full potential linearised augmented plane wave (FP-LAPW) method within …

First-principles calculation of magnetic, structural, dynamic, electronic, elastic, thermodynamic and thermoelectric properties of Co2ZrZ (Z= Al, Si) Heusler alloys

SS Essaoud, AS Jbara - Journal of Magnetism and Magnetic Materials, 2021 - Elsevier
Abstract Electronic, magnetic, dynamic, elastic, thermodynamic, and thermoelectric
properties for Co 2-based full Heusler alloys are investigated theoretically. The full potential …

[HTML][HTML] Systematic study of ferromagnetic phase stability of Co-based Heusler materials with high figure of merit: Hunt for spintronics and thermoelectric applicability

SA Sofi, DC Gupta - AIP Advances, 2020 - pubs.aip.org
The high throughput thermoelectric devices are considered a promising futuristic energy
source to control global warming and realize the dream of green energy and a sustainable …

[HTML][HTML] First-principles study on novel Fe-based quaternary Heusler alloys, with robust half-metallic, thermoelectric and optical properties

R Prakash, G Kalpana - RSC advances, 2023 - pubs.rsc.org
This work aims are studying new and unique Fe-based quaternary Heusler alloys for data
storage, energy conversion and optoelectronics applications. The structural, magnetic …

Current research and future prospective of cobalt‐based Heusler alloys as thermoelectric materials: A density functional approach

SA Sofi, DC Gupta - International Journal of Energy Research, 2021 - Wiley Online Library
Energy harvesting along with the thermoelectric materials has been investigated over recent
decades with increased interest. This is not only due to their structural capability for …

Investigations of martensitic, thermodynamics, elastic, electronic, magnetic, thermal and thermoelectric properties of Co2FeZ Heusler alloys (Z=Si; Ge; Al; Ga): a first …

MY Raïâ, R Masrour, A Jabar, M Hamedoun… - Molecular …, 2022 - Taylor & Francis
In this study, the first-principle calculations using FPLAPW based on density functional
theory, have been employed to examine and deeply understand the martensitic …

First-principles calculations to investigate magnetic and thermodynamic properties of new multifunctional full-Heusler alloy Co2TaGa

M Ayad, F Belkharroubi, FZ Boufadi, M Khorsi… - Indian Journal of …, 2020 - Springer
The structural, elastic, electronic, magnetic and thermodynamic properties of Co 2 TaGa full-
Heusler alloy are investigated using density functional theory-based full-potential linearized …