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Structural prediction of host-guest structure in lithium at high pressure
Ab initio random structure searching (AIRSS) technique is used to identify the high-pressure phases of lithium (Li). We proposed the transition mechanism from the fcc to host-guest (HG) structures at finite temperature and high pressure. This complex structural phase transformation has been calculat...
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| Udgivet i: | Sci Rep |
|---|---|
| Main Authors: | , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Nature Publishing Group UK
2018
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5869677/ https://ncbi.nlm.nih.gov/pubmed/29588486 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-23473-5 |
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