Structural, mechanical, magnetic, electronic, and thermal investigations of Ag2YB (Y = Nd, Sm, Gd) full-Heusler alloys
B Asma, F Belkharroubi, A Ibrahim, B Lamia… - Emergent …, 2021 - Springer
A series of full-Heusler based on rare earth Ag2YB (Y= Nd, Sm, Gd) are studied by
linearized augmented plane waves with total potential (FP-LAPW) method. We have …
linearized augmented plane waves with total potential (FP-LAPW) method. We have …
[HTML][HTML] Inspecting the electronic structure and thermoelectric power factor of novel p-type half-Heuslers
SA Khandy - Scientific Reports, 2021 - nature.com
In line for semiconducting electronic properties, we systematically scrutinize the likely to be
grown half-Heusler compounds XTaZ (X= Pd, Pt and Z= Al, Ga, In) for their stability and …
grown half-Heusler compounds XTaZ (X= Pd, Pt and Z= Al, Ga, In) for their stability and …
[HTML][HTML] Lattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors
The structural and mechanical stability of Fe2TaAl and Fe2TaGa alloys along with the
electronic properties are explored with the help of density functional theory. On applying …
electronic properties are explored with the help of density functional theory. On applying …
Design and development of low density, high strength ZrNbAlVTi high entropy alloy for high temperature applications
Superior high temperature strength, better thermodynamic stability and good workability are
some of the desirable attributes of structural materials for next generation nuclear reactors …
some of the desirable attributes of structural materials for next generation nuclear reactors …
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 …
and thermoelectric properties of Co 2 MoAl and Co 2 TcAl full Heusler compounds using first …
Exploring thermoelectric properties and stability of half-Heusler PtXSn (X= Zr, Hf) semiconductors: a first principle investigation
Half-Heuslers (HH) have found ever-increasing popularity as high temperature
thermoelectric (TE) materials. In this paper, the electron and phonon transport equations are …
thermoelectric (TE) materials. In this paper, the electron and phonon transport equations are …
Full Heusler alloys (Co2TaSi and Co2TaGe) as potential spintronic materials with tunable band profiles
DFT based structural optimizations and cohesive energies of novel Co-based Heusler
compounds confirm the stability of these alloys in L2 1 phase (Cu 2 MnAl prototype). Later …
compounds confirm the stability of these alloys in L2 1 phase (Cu 2 MnAl prototype). Later …
Possible half-metallic behavior of Heusler alloys: Theory and experiment
This paper reports a combined experimental and theoretical study of structural, electronic,
magnetic, and mechanical properties of quaternary Heusler alloys Co 2− x Cr x FeGe …
magnetic, and mechanical properties of quaternary Heusler alloys Co 2− x Cr x FeGe …
A promising thermoelectric response of HfRhSb half Heusler compound at high temperature: a first principle study
The thermoelectric properties of novel ternary half Heusler compound HfRhSb has been
studied by using the density functional theory (DFT) in combination with Boltzmann transport …
studied by using the density functional theory (DFT) in combination with Boltzmann transport …
Novel half-metallic L21 structured full-Heusler compound for promising spintronic applications: A DFT-based computer simulation
In search for novel magnetic materials, we discuss the computer estimation of structural,
electronic, mechanical, thermodynamic and magnetic properties of yet-to-be synthesized but …
electronic, mechanical, thermodynamic and magnetic properties of yet-to-be synthesized but …