科研之友
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摘要
We use ab initio methods to calculate the magnetic properties of vacancies in a graphitic boron nitride sheet (g-BN). By applying a full spin-polarized description to the system, we demonstrate that the nitrogen vacancy (V(N)) or the boron vacancy (V(B)) can induce spontaneous magnetization. The magnetic nature of these intrinsic vacancies suggests that it is important to understand their role in the recently observed magnetism in the metal-free materials.
- 出版日期2007-5
- 单位兰州大学
