Ab initio study of the low-temperature phases of lithium imide
We present a low-temperature structural model for lithium imide (Li[subscript 2]NH) that is consistent with experimental studies. Using the cluster expansion formalism and density-functional theory, we have identified a low-energy crystal structure for lithium imide with 96 atoms per unit cell. This...
| Egile Nagusiak: | , |
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| Beste egile batzuk: | |
| Formatua: | Artikulua |
| Hizkuntza: | en_US |
| Argitaratua: |
American Physical Society
2011
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| Sarrera elektronikoa: | http://hdl.handle.net/1721.1/63127 |