文献类型：期刊文献

英文题名：Formation and annealing behaviors of qubit centers in 4H-SiC from first principles

作者：Wang, Xiaopeng[1,2];Zhao, Mingwen[1,2];Bu, Hongxia[1,2];Zhang, Hongyu[3];He, Xiujie[1,2];Wang, Aizhu[1,2]

机构：[1]Shandong Univ, Sch Phys, Jinan 250100, Shandong, Peoples R China;[2]Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Shandong, Peoples R China;[3]E China Univ Sci & Technol, Dept Phys, Shanghai 200237, Peoples R China

年份：2013

卷号：114

期号：19

外文期刊名：JOURNAL OF APPLIED PHYSICS

收录：;EI(收录号：20134917046407);WOS:【SCI-EXPANDED(收录号:WOS:000327592400042)】；

基金：This work was supported by the National Basic Research Program of China (No. 2012CB932302), the National Natural Science Foundation of China (No. 91221101), the Natural Science Fund for Distinguished Young Scholars of Shandong Province (No. JQ201001), and the National Super Computing Center in Jinan. Xiaopeng Wang thanks the Graduate Independent Innovation Foundation of Shandong University (GIIFSDU, 2082012yzc12103).

语种：英文

外文关键词：Silicon carbide - Vacancies - Calculations - Annealing - Quantum computers

摘要：Inspired by finding that the nitrogen-vacancy center in diamond is a qubit candidate, similar defects in silicon carbide (SiC) have drawn considerable interest. However, the generation and annealing behaviors of these defects remain unclear. Using first-principles calculations, we describe the equilibrium concentrations and annealing mechanisms based on the diffusion of silicon vacancies. The formation energies and energy barriers along different migration paths, which are responsible for the formation rates, stability, and concentrations of these defects, are investigated. The effects on these processes of charge states, annealing temperature, and crystal orientation are also discussed. These theoretical results are expected to be useful in achieving controllable generation of these defects in experiments. (C) 2013 AIP Publishing LLC.