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

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.
Authors:
; ; ; ;  [1] ;  [2]
  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)
Publication Date:
OSTI Identifier:
22258747
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 114; Journal Issue: 19; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ABUNDANCE; ANNEALING; CHARGE STATES; CONCENTRATION RATIO; CRYSTALS; DIAMONDS; DIFFUSION BARRIERS; FORMATION HEAT; NITROGEN; SILICON; SILICON CARBIDES; VACANCIES