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...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society,
2011-05-26T17:33:32Z.
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| Subjects: | |
| Online Access: | Get fulltext |