Ab initio investigation of Co–Ta–Sn Heusler alloys for thermoelectric applications

AAG Santos, PD Borges - Computational and Theoretical Chemistry, 2023 - Elsevier
Heusler alloys have shown to be promising materials for thermoelectric applications. This
work presents a theoretical study of Heusler alloys within the GGA-PBE and hybrid (HSE06) …

Critical Assessment of Phase Equilibria in the Al-Co-Ta and Al-Ni-Ta Systems

L Fenocchio, S Gambaro, G Cacciamani - Journal of Phase Equilibria and …, 2024 - Springer
Despite the importance of Al and Ta as alloying elements for Co-and Ni-base alloys, there
has been limited research on the phase equilibria in the Al-Co-Ta and Al-Ni-Ta systems …

[HTML][HTML] Effect of substitution of 3d, 4d and 5d elements on structural, electronic, magnetic properties and XMCD spectra of Co-based full Heusler alloys: A DFT study

R Dutt, A Chakrabarti - AIP Advances, 2023 - pubs.aip.org
In the present work, we have probed the role of substitution of 3d, 4d and 5d elements (ie,
with electronic configuration (EC): nd y, where n= 3–5; y= number of electrons in the d level) …

Design of Heusler alloys using Co-VB-Sn (VB= V, Nb, Ta) atoms within ab initio calculations for thermoelectric applications

AAG Santos - 2023 - bdtd.ibict.br
Matrizes energéticas ambientalmente amigáveis são essenciais para o desenvolvimento
humano sustentável. Nessa perspectiva, as ligas de Heusler têm se mostrado materiais …