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First-principles study on the structural and electronic properties of metallic HfH(2) under pressure
The crystal structures and properties of hafnium hydride under pressure are explored using the first-principles calculations based on density function theory. The material undergoes pressure-induced structural phase transition I4/mmm→Cmma→P2(1)/m at 180 and 250 GPa, respectively, and all of these st...
Enregistré dans:
| Publié dans: | Sci Rep |
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| Auteurs principaux: | , , , , , , , , , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Nature Publishing Group
2015
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4476111/ https://ncbi.nlm.nih.gov/pubmed/26096298 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep11381 |
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