Defects as qubits in 3C- and 4H-SiC
Defects as qubits in 3C- and 4H-SiC
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DOI：
10.1103/physrevb.92.045208
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发表时间：
2015-07-20
影响因子：
3.7
通讯作者：
Van de Walle, C. G.
中科院分区：
文献类型：
--
作者：
Gordon, L.;Janotti, A.;Van de Walle, C. G.
我们采用混合密度泛函计算来寻找不同多型SiC中的缺陷，这些缺陷可以作为量子计算的量子比特。我们探讨了4 H-和3C-SiC中的双空位，由相邻于硅空位的碳空位组成，以及3C-SiC中的氮空位（NV）中心，其中替代的N-C位于Si空位旁边（N-C-V-Si）。4 H-SiC中双空位的激发能和发射能的计算结果与实验数据非常吻合，并有助于确定双空位的四种独特构型和实验观察到的四条不同的零声子线。对于3C-SiC，我们确定了顺磁缺陷，最近被证明是保持一个相干的量子态高达室温的自旋-1中性双空位。最后，我们发现3C-SiC中的（N-C-V-Si）（-）中心在量子信息科学中具有很大的应用前景，并为识别这种缺陷提供了指导。
We employ hybrid density functional calculations to search for defects in different polytypes of SiC that may serve as qubits for quantum computing. We explore the divacancy in 4H- and 3C-SiC, consisting of a carbon vacancy adjacent to a silicon vacancy, and the nitrogen-vacancy (NV) center in 3C-SiC, in which the substitutional N-C sits next to a Si vacancy (N-C-V-Si). The calculated excitation and emission energies of the divacancy in 4H-SiC are in excellent agreement with experimental data, and aid in identifying the four unique configurations of the divacancy with the four distinct zero-phonon lines observed experimentally. For 3C-SiC, we identify the paramagnetic defect that was recently shown to maintain a coherent quantum state up to room temperature as the spin-1 neutral divacancy. Finally, we show that the (N-C-V-Si)(-) center in 3C-SiC is highly promising for quantum information science, and we provide guidance for identifying this defect.