Journal
PHYSICAL REVIEW B
Volume 75, Issue 19, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.75.193409
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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.
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