Formation and annealing behaviors of qubit centers in 4H-SiC from first principles

Journal Article · Thu Nov 21 04:00:00 EST 2013 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4832457· OSTI ID:22258747

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

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1. School of Physics and State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100 (China)
2. Department of Physics, East China University of Science and Technology, Shanghai 200237 (China)

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.

• OSTI ID: 22258747
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 19 Vol. 114; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ABUNDANCE
ANNEALING
CHARGE STATES
CONCENTRATION RATIO
CRYSTALS
DIAMONDS
DIFFUSION BARRIERS
FORMATION HEAT
NITROGEN
SILICON
SILICON CARBIDES
VACANCIES