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First-principles studies of magnetic properties and electronic structure of EuC60 |
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| Authors: | L. Zhu K.L. Yao Z.L. Liu |
| Affiliation: | a Department of Physics, Huazhong University of Science and Technology, Wuhan 430074, China b International Centre of Materials Physics, The Chinese Academy of Science, Shengyang 110015, China c State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing 210093, China |
| Abstract: | The full potential linearized augmented plane wave (FP-LAPW) method with the GGA+U approach was applied to study the electronic structures of the compound Eu6C60. Present calculations show that the hybridization between the Eu s, d state and the C60 π states plays an essential role in its FM exchange interactions between the 4f electrons and metallic properties. |
| Keywords: | 71.15.Ap 71.15.Mb 74.25.Jb |
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