Computational study of phase stability, electronic, magnetic and thermoelectric properties of a new quaternary Heusler alloy CrCoIrGa

M Mushtaq, S Al-Qaisi, IUN Lone - Solid State Communications, 2022 - Elsevier
Exploring new materials with interesting physical properties plays a vital role in the
development of modern technologies. Herein, using density functional theory based first …

[HTML][HTML] Ab-initio computations of CaV2S4 and CaMn2S4 spinels for spintronics and energy storage system applications

A Mahmood, SM Ramay, W Al-Masry… - Journal of Materials …, 2020 - Elsevier
Having ferromagnetism capabilities and energy storage capacity, CaV 2 S 4 and CaMn 2 S
4 spinels are interesting materials owing to their potential applications in spintronics …

Equiatomic quaternary CoXCrAl (X= V, Nb, and Ta) heusler compounds: insights from DFT calculations

TS Dag, A Gencer, Y Ciftci, G Surucu - Journal of Magnetism and Magnetic …, 2022 - Elsevier
The half-metallic ferromagnets are likely materials to the spintronics systems for the next
generation electronic devices. Among the half-metallic ferromagnetic materials, the …

Pursuit of thermoelectric properties in L21 structured Co2PAl (P= Ru, Rh) ductile ferromagnetic materials: A first principles prospective

SA Sofi, DC Gupta - Journal of Solid State Chemistry, 2021 - Elsevier
Thermoelectric materials may contribute in the near future as new alternative sources of
sustainable energy. The capability of Heusler alloys to provide the intriguing concerns …

Ab-initio study of quaternary Heusler alloys LiAEFeSb (AE= Be, Mg, Ca, Sr or Ba) and prediction of half-metallicity in LiSrFeSb and LiBaFeSb

JK Sharma, A Dhamija, A Pal, J Kumar - Computational Materials Science, 2024 - Elsevier
The quaternary Heusler alloys with composition LiAEFeSb have been studied in this
manuscript (AE= Alkaline Earth elements Be, Mg, Ca, Sr and Ba) for their potential …

Robustness in ferromagnetic phase stability, half‐metallic behavior and transport properties of cobalt‐based full‐Heuslers compounds: A first principles approach

SA Sofi, DC Gupta - International Journal of Quantum …, 2021 - Wiley Online Library
Heusler alloys fill up the demanding gaps and becomes a point of prestige due to their
interesting multi‐dimensional and remarkable applications in future technologies like …

High temperature and pressure dependent structural and thermophysical properties of Co2VN (N= Sn, Sb) ferromagnetic materials

SA Sofi, DC Gupta - Materials Research Express, 2020 - iopscience.iop.org
Ab-initio framework investigation of structural stability and thermophysical behavior of two
Co-based Heusler alloys is carried out using spin-polarized calculations at high temperature …

Tuning of electronic bandgap and electronic transport properties of double perovksites A2NaScI6 (A= Rb, Cs) for energy device applications

HA Alburaih, NA Noor, M Rashid, S Nazir… - Physica Scripta, 2023 - iopscience.iop.org
Non-toxicity, ecosystem stability, and distinct performance are the reasons to make halide-
based perovskites suitable for solar and thermoelectric purposes. This paper studied elastic …

Understanding the origin of semiconducting ferromagnetic character along with the high figure of merit in Cs2NaMCl6 (M= Cr, Fe) double perovskites

SA Mir, DC Gupta - Journal of Magnetism and Magnetic Materials, 2021 - Elsevier
Thermoelectric devices have tendency to generate electric power by renovating waste heat.
Semiconducting materials are the hunt for thermoelectric technology. We have traced the …

Exploring oxygen non-stoichiometry in presumably stoichiometric double perovskites: the case study for LaCu0. 5Mn0. 5O3-δ

BV Politov, AM Shalamova, IR Shein, AY Suntsov - Acta Materialia, 2023 - Elsevier
Perovskite-like oxide with the general formula LaCu 0.5 Mn 0.5 O 3–δ (LCMO) was
synthesized via the combustion of organo-metallic precursors. X-ray powder diffraction and …