Robust thermoelectric performance and high spin polarisation in CoMnTiAl and FeMnTiAl compounds
TM Bhat, DC Gupta - RSC Advances, 2016 - pubs.rsc.org
New quaternary Heusler materials, CoMnTiAl and FeMnTiAl, have been investigated. These
alloys are found to be stable in a ferromagnetic phase in Y1 type structure; the stability is …
alloys are found to be stable in a ferromagnetic phase in Y1 type structure; the stability is …
Half-metallic ferromagnets, spin gapless semiconductors, and topological semimetals based on Heusler alloys: Theory and experiment
VV Marchenkov, VY Irkhin - Physics of Metals and Metallography, 2021 - Springer
The paper presents a review of theoretical and experimental studies of the electronic
structure and electronic and magnetic properties of various systems of Heusler alloys in the …
structure and electronic and magnetic properties of various systems of Heusler alloys in the …
Effect of on-site Coulomb interaction on electronic and transport properties of 100% spin polarized CoMnVAs
TM Bhat, DC Gupta - Journal of Magnetism and Magnetic Materials, 2017 - Elsevier
The structural, electronic, magnetic and transport properties of a new quaternary Heusler
alloy CoMnVAs have been investigated by employing generalized gradient approximation …
alloy CoMnVAs have been investigated by employing generalized gradient approximation …
Half-metallicity in Fe2MnSi and Mn2FeSi heusler compounds: A comparative ab initio study
First-principles calculations of the structural, electronic, and magnetic properties of full-
Heusler compounds Fe 2 MnSi and Mn 2 FeSi in regular L2 1 and inverse XA structures …
Heusler compounds Fe 2 MnSi and Mn 2 FeSi in regular L2 1 and inverse XA structures …
Elastic, anisotropic, lattice dynamics and electronic properties of XNiM and XNi2M (X= Ti, Zr, Hf; M= Sn, Ge, Si): DFT comparison study
The ab-initio calculations were performed using density functional theory (DFT) as
implemented in the Quantum ESPRESSO (QE) code. Lattice parameter mismatch was …
implemented in the Quantum ESPRESSO (QE) code. Lattice parameter mismatch was …
Mechanical stability and origin of half-metallicity of new M2NiZ (M= Sc, Ti, and V; Z= Tl and Pb) Heusler alloys
A theoretical investigation of electronic and magnetic properties has been performed on the
new members of Heusler alloys M 2 NiZ (M= Sc, Ti, and V; Z= Tl and Pb) that crystallize in an …
new members of Heusler alloys M 2 NiZ (M= Sc, Ti, and V; Z= Tl and Pb) that crystallize in an …
Origin of the Low Magnetic Moment in Fe2AlTi: An Ab Initio Study
The intermetallic compound Fe 2 AlTi (alternatively Fe 2 TiAl) is an important phase in the
ternary Fe-Al-Ti phase diagram. Previous theoretical studies showed a large discrepancy of …
ternary Fe-Al-Ti phase diagram. Previous theoretical studies showed a large discrepancy of …
Structural and Magnetic Studies on Mn2TiSi Heusler Alloy for Spintronics Applications
We have looked at a very interesting class of Heusler alloy that has received a lot of
theoretical research but a very little experimental attention. Mn2TiSi Heusler alloy was …
theoretical research but a very little experimental attention. Mn2TiSi Heusler alloy was …
Pressure-induced magnetic moment abnormal increase in Mn2FeAl and non-continuing decrease in Fe2MnAl via first principles
Y Ze-**, G Qing-He, X Heng-Na, S Ju-**ang… - Scientific Reports, 2017 - nature.com
Abstract The magnetism of Fe2MnAl and Mn2FeAl compounds are studied by first principles.
Evolutions of magnetic moment of Fe2MnAl display distinct variation trends under pressure …
Evolutions of magnetic moment of Fe2MnAl display distinct variation trends under pressure …
Elasticity of phases in Fe-Al-Ti superalloys: Impact of atomic order and anti-phase boundaries
We combine theoretical and experimental tools to study elastic properties of Fe-Al-Ti
superalloys. Focusing on samples with chemical composition Fe71Al22Ti7, we use …
superalloys. Focusing on samples with chemical composition Fe71Al22Ti7, we use …