Volume 87, Number 1, July 2009
|Number of page(s)||4|
|Section||Interdisciplinary Physics and Related Areas of Science and Technology|
|Published online||15 July 2009|
Ferromagnetism in the potential cathode material LiNaFePO4F
Condensed Matter Theory Group, Department of Physics and Materials Science, Uppsala University Box 530, SE-751 21 Uppsala, Sweden, EU
2 Applied Materials Physics, Department of Materials and Engineering, Royal Institute of Technology (KTH) SE-100 44 Stockholm, Sweden, EU
Accepted: 13 June 2009
We present the ab initio study of the cathode material LiNaFePO4F, which is suitable for rechargeable batteries. Our calculations reveal the ferromagnetic order to be the ground state of this material. We also predict more than 5.0 V intercalation voltage of this material for sodium-ion batteries. The low cost of sodium iron fluorophasphate batteries and more than 5.0 V intercalation voltage makes it the more suitable candidate, commercially and scientifically, than any other cathode materials for rechargeable batteries.
PACS: 82.45.Fk – Electrodes / 61.50.Ah – Theory of crystal structure, crystal symmetry; calculations and modeling / 51.60.+a – Magnetic properties
© EPLA, 2009
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