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Competition between ferromagnetic and antiferromagnetic interaction in monoclinic LiMnO2 |
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| Authors: | Zu-Fei Huang Chun-Zhong Wang Xing Meng Yuan Sun Gang Chen |
| Affiliation: | aDepartment of Materials Science, College of Materials Science and Engineering, Jilin University, Changchun 130012, PR China |
| Abstract: | The electronic and magnetic structures of monoclinic LiMnO2 are investigated by first-principles calculations with spin-polarized generalized gradient approximation. It is found that the Mn3+ ion is in the high-spin state. The ground state is found to be an insulating state with competing ferromagnetic and antiferromagnetic interaction, and it is this competition that results in the spin-glass behavior observed in monoclinic LiMnO2. |
| Keywords: | First-principles calculation Monoclinic LiMnO2 Spin-glass state Electronic structure Magnetic interaction |
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