Volume 87, Number 1, July 2009
Article Number 18001
Number of page(s) 4
Section Interdisciplinary Physics and Related Areas of Science and Technology
Published online 15 July 2009
EPL, 87 (2009) 18001
DOI: 10.1209/0295-5075/87/18001

Ferromagnetism in the potential cathode material LiNaFePO4F

M. Ramzan1 and R. Ahuja1, 2

1   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

received 15 April 2009; accepted in final form 13 June 2009; published July 2009
published online 15 July 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.

82.45.Fk - Electrodes.
61.50.Ah - Theory of crystal structure, crystal symmetry; calculations and modeling.
51.60.+a - Magnetic properties.

© EPLA 2009