On the diffusion of NV defects in diamond
On the diffusion of NV defects in diamond
复制标题
DOI：
10.1002/pssa.201200050
复制
发表时间：
2012-09-01
影响因子：
2
通讯作者：
Oberg, S.
中科院分区：
文献类型：
--
作者：
Pinto, H.;Jones, R.;Oberg, S.
除了它们在量子信息处理中的重要性外，NV缺陷是氮在金刚石中扩散和聚集的关键因素。在不存在过渡金属的情况下，认为氮聚集的第一阶段（其中形成近邻氮对）由NV缺陷介导。在这里，我们使用密度泛函理论来探讨NV扩散的障碍。我们得出结论，障碍是5左右？电子伏特时，有一个现成的空位源，这个障碍是弱依赖于压力。
Besides their importance for quantum information processing, NV defects are crucial agents for the diffusion and aggregation of nitrogen in diamond. In the absence of transition metals, it is thought that the first stage of nitrogen aggregation, where close neighbour nitrogen pairs are formed, is mediated by NV defects. Here we use density functional theory to explore the barriers to NV diffusion. We conclude that the barrier is around 5?eV when there is a ready source of vacancies and that this barrier is weakly dependent on pressure.