Determination of electronic structure and band gap of Li 2MnP 2O 7 via first-principle study
The pyrochlore Li2MnP2O7 structure is an important new class of cathode for lithium ion batteries. First-principle calculations of ferromagnetic and antiferromagnetic (AFM) Li2MnP 2O7 have been conducted within both the local density approximation (LDA) and the LDA+U frameworks. The optimized lattic...
| Published in: | Integrated Ferroelectrics |
|---|---|
| Main Author: | |
| Format: | Conference paper |
| Language: | English |
| Published: |
Taylor and Francis Inc.
2014
|
| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84901406245&doi=10.1080%2f10584587.2014.905160&partnerID=40&md5=89a23ecb42f5a5b363d8a9d1aa0af1b2 |