Lattice dynamic stability and electronic structures of ternary hydrides La(1−x)Y(x)H(3)via first-principles cluster expansion

Lanthanum hydride compounds LaH(3) become stabilized by yttrium substitution under the influence of moderate pressure. Novel materials with a wide range of changes in the structural properties as a function of hydrogen are investigated by means of the first-principles cluster expansion technique. He...

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Detalles Bibliográficos
Autores principales: Tsuppayakorn-aek, Prutthipong, Sukmas, Wiwittawin, Pluengphon, Prayoonsak, Inceesungvorn, Burapat, Phansuke, Piya, Kaewtubtim, Pungtip, Ahuja, Rajeev, Bovornratanaraks, Thiti, Luo, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9490771/
https://www.ncbi.nlm.nih.gov/pubmed/36320850
http://dx.doi.org/10.1039/d2ra03194a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9490771/
https://www.ncbi.nlm.nih.gov/pubmed/36320850
http://dx.doi.org/10.1039/d2ra03194a

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