【摘 要】
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First-principles calculation reveals that hydrogen, which is abundant in chemical vapor deposition, can significantly improve the uniformity of NV centers i
【机 构】
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NankaiUniversity,Tianjin
【出 处】
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第十三届国际凝聚态理论与计算材料学会议(The 13th International Conference on Con
论文部分内容阅读
First-principles calculation reveals that hydrogen, which is abundant in chemical vapor deposition, can significantly improve the uniformity of NV centers in diamond.It shows that the formation of NV centers can be described as a multi-step process: first, a substitutional N (NC) is preferentially formed at the surface layer over that of either a carbon vacancy (VC) or an in-pane NVH complex.Second, with the help of H, a VC is preferentially incorporated in the newly formed topmost layer as a nearest neighbor to the NC (now buried in the first sublayer).This NVH complex is even more stable than NC on the same layer.Third, H protects the already formed NV centers by forming low-energy NVHX complexes.These NV centers with their axes pointing along the directions of surface C-H bonds during their incorporation explain the experimental observations by CVD growth on (100) and (110) surfaces.Based on the model, we predict that CVD growth on (111) surface could eliminate the orientation domains to significantly improve the performance of NV centers.
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