Determination of electronic structure and band gap of Li 2MnP 2O 7 via first-principle study

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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...

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Bibliographic Details
Published in:	Integrated Ferroelectrics
Main Author:	Rasiman M.S.A.; Badrudin F.W.; Kudin T.I.T.; Yaakob M.K.; Taib M.F.M.; Yahya M.Z.A.; Hassan O.H.
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

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