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Tailoring the intrinsic magneto-electronic, mechanical, thermo-physical and thermoelectric response of cobalt-based Heusler alloys: an ab initio insight

We conducted a comprehensive analysis of the fundamental properties of CoHfSi and CoHfGe half-Heusler alloys using density functional theory simulations implemented in Wien2k. To begin, structural optimization revealed that both alloys effectively adopt a cubic C(1b) structure, with Y1 as the domina...

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Detalles Bibliográficos
Autores principales: Gurunani, Bharti, Gupta, Dinesh C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10570773/
https://www.ncbi.nlm.nih.gov/pubmed/37842682
http://dx.doi.org/10.1039/d3ra03957a