缺陷Al2O3（0001）上铀替代的巨磁各向异性能和长相干时间
Giant magnetic anisotropy energy and long coherence time of uranium substitution on defected Al2O3(0001)
摘要：
具有巨大磁各向异性能和长相干时间的纳米磁体是量子信息处理和存储等技术创新的需要。基于第一性原理计算和模型分析，我们证明了在Al_2 O_3（0001）表面取代Al的单个铀原子可能具有高的结构稳定性和大的磁各向异性能，每个铀原子可达48 meV.由于磁化强度位于局域f壳层中，并且与邻居的化学键合没有太大关系，因此量子自旋态可以实现高达~1.6 mS的长相干时间。这些结果为在量子信息时代寻找具有不同应用的超小磁性单元提供了一种新的策略。
英文摘要：
Nanomagnets with giant magnetic anisotropy energy and long coherence time are desired for various technological innovations such as quantum information procession and storage. Based on the first-principles calculations and model analyses, we demonstrate that a single uranium atom substituting Al on the Al2O3(0001) surface may have high structural stability and large magnetic anisotropy energy up to 48 meV per uranium atom. As the magnetization resides in the localized f-shell and is not much involved in chemical bonding with neighbors, long coherence time up to ~1.6 mS can be achieved for the quantum spin states. These results suggest a new strategy for the search of ultrasmall magnetic units for diverse applications in the quantum information era.
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