Tunable ionic and electronic conduction of lithium nitride via phosphorus and arsenic substitution : a first-principles study
We investigated the electronic structure and transport properties of phosphorus- and arsenic-substituted Li3N using first-principles methods. It is found that both P and As partial substitution reduce Li vacancy formation energy, without appreciable alteration of energy band gap, indicating an impro...
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| Main Authors: | , , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2011
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/93968 http://hdl.handle.net/10220/7396 |
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| Institution: | Nanyang Technological University |
| Language: | English |