Half-metallicity, magnetic and optical attributes of mechanically stable half-Heusler VSnX (X= Pt, Pd) alloys for spintronics: a DFT study

F Firdous, Q Ain, SMH Qaid, M Yousaf… - The European Physical …, 2023 - Springer
Recent developments in spintronics reveal the significance of half-Heusler alloys due to
their high spin polarization. Using Wien2k package, half-Heusler VSnX (X= Pt, Pd) alloys …

A new candidate for optoelectronic device applications: CoTiX (X: P, As, Sb) half-heusler compounds

İK Durukan, YO Ciftci, H Tekin - Physica B: Condensed Matter, 2024 - Elsevier
Some theoretical calculations of CoTiX (X: P, As, Sb) Half-Heusler (HH) compounds in
MgAgAs-type structure have been analyzed using density functional theory (DFT). These …

A new family of NaTMGe (TM= 3d transition metals) half-Heusler compounds: the role of TM modification

TV Vu, DK Nguyen, J Guerrero-Sanchez… - RSC …, 2022 - pubs.rsc.org
Exploring Heusler based materials for different practical applications has drawn more and
more attention. In this work, the structural, electronic, magnetic, and mechanical properties of …

Structural, electronic, magnetic, optical and thermoelectric properties of full-Heusler alloys Rh2FeZ (Z= Al, Ga, In): First principles calculations with GGA and GGA+ U

R Meenakshi, RAS Srinivasan, A Amudhavalli… - Physica B: Condensed …, 2024 - Elsevier
The density functional theory was employed to explore the structural, electronic, magnetic,
optical, and thermoelectric properties of full Heusler alloys Rh 2 FeZ (Z= Al, Ga, In). The …

Investigation of mechanical, thermodynamical, dynamical and electronic properties of RuYAs (Y= Cr and Fe) alloys

D Kalita, M Ram, N Limbu… - Journal of Physics …, 2021 - iopscience.iop.org
Investigation of structural, dynamical, mechanical, electronic and thermodynamic properties
of RuYAs (Y= Cr and Fe) alloys have been performed from the first principle calculations …

First principle study of the CuCrTiS4: Spin-glass state and electronic transport

EV Argunov, AI Kartsev - Computational Materials Science, 2024 - Elsevier
Magnetothermopower and giant magnetoresistance in spinel-type compound CuCrTiS 4
has attracted a lot of attention recently. Ab initio computations of the electronic structure and …

Electronic Structure and Magnetic Properties of FeRhSn1 − xZx Alloys (Z = Ge, Si, Sb): First Principles Studies

OO Pavlukhina, VV Sokolovskiy… - Physics of Metals and …, 2023 - Springer
Magnetic properties and electronic structure inherent in FeRhSn1− x Z x alloys (x= 0, 0.25,
0.5, 0.75, 1) have been studied with the use of first-principles methods in an environment of …

The promising potential of half Heusler EuFeSb alloy for high-performance thermoelectric with improved half-metallicity and optical properties: a DFT study

S Idrissi, A Jabar, L Bahmad - Indian Journal of Physics, 2024 - Springer
In this study, we have employed the density functional theory to investigate the structural,
electronic, optic, and thermoelectric properties of the new Half Heusler EuFeSb alloy. We …

Structural, Electronic, Mechanical and Optical Properties of RhZrZ (Z= As, Sb) Half‐Heusler Compounds: First‐Principles Calculations

A Beriso Bejo, M Wodajo Shura… - … in Condensed Matter …, 2024 - Wiley Online Library
In this study, density functional theory (DFT) as it is implemented in the Quantum Espresso
simulation package was employed to investigate the structural, electronic, mechanical and …

Electronic Structure and Magnetic Properties of FeRhSn 1–x Z x (Z= Ge, Si, Sb): Ab Initio Study

OO Pavlukhina, VV Sokolovskiy… - Fizika metallov i …, 2023 - journals.rcsi.science
Magnetic properties and electronic structure of FeRhSn 1–x Z x alloys (x= 0, 0.25, 0.5, 0.75,
1) have been investigated by first-principles methods using the VASP software package. It is …