| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1563945 | Computational Materials Science | 2008 | 6 Pages |
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.
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Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Zu-Fei Huang, Chun-Zhong Wang, Xing Meng, Yuan Sun, Gang Chen,