skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A neutral oxygen-vacancy center in diamond: A plausible qubit candidate and its spintronic and electronic properties

Abstract

Spintronic and electronic properties of a neutral oxygen-vacancy (O-V) center, an isoelectronic defect similar to the negatively charged nitrogen-vacancy center in diamond, were studied by combining first-principles calculations and a mean-field theory for spin hyperfine interaction. It is elucidated that the neutral O-V center is stable in the p-type diamond and possesses an S = 1 triplet ground state and four spin-conserved excited states with the spin coherence times in an order of second at T = 0 K. The results indicate that the neutral O-V center is another promising candidate for spin coherent manipulation and qubit operation.

Authors:
; ; ; ; ; ; ;  [1];  [2]
  1. Key Laboratory of Polar Materials and Devices, Ministry of Education of China, East China Normal University, Shanghai 200241 (China)
  2. Supercomputer Center, Administration Department of Equipments, East China Normal University, Shanghai 200062 (China)
Publication Date:
OSTI Identifier:
22314491
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 105; Journal Issue: 5; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; DIAMONDS; EXCITED STATES; GROUND STATES; MEAN-FIELD THEORY; NITROGEN; OXYGEN; QUBITS; SPIN; TRIPLETS; VACANCIES

Citation Formats

Zhang, Y. G., Tang, Z., E-mail: ztang@ee.ecnu.edu.cn, Zhao, X. G., Cheng, G. D., Tu, Y., Cong, W. T., Zhu, Z. Q., Chu, J. H., and Peng, W., E-mail: wpeng@ecnu.edu.cn. A neutral oxygen-vacancy center in diamond: A plausible qubit candidate and its spintronic and electronic properties. United States: N. p., 2014. Web. doi:10.1063/1.4892654.
Zhang, Y. G., Tang, Z., E-mail: ztang@ee.ecnu.edu.cn, Zhao, X. G., Cheng, G. D., Tu, Y., Cong, W. T., Zhu, Z. Q., Chu, J. H., & Peng, W., E-mail: wpeng@ecnu.edu.cn. A neutral oxygen-vacancy center in diamond: A plausible qubit candidate and its spintronic and electronic properties. United States. doi:10.1063/1.4892654.
Zhang, Y. G., Tang, Z., E-mail: ztang@ee.ecnu.edu.cn, Zhao, X. G., Cheng, G. D., Tu, Y., Cong, W. T., Zhu, Z. Q., Chu, J. H., and Peng, W., E-mail: wpeng@ecnu.edu.cn. Mon . "A neutral oxygen-vacancy center in diamond: A plausible qubit candidate and its spintronic and electronic properties". United States. doi:10.1063/1.4892654.
@article{osti_22314491,
title = {A neutral oxygen-vacancy center in diamond: A plausible qubit candidate and its spintronic and electronic properties},
author = {Zhang, Y. G. and Tang, Z., E-mail: ztang@ee.ecnu.edu.cn and Zhao, X. G. and Cheng, G. D. and Tu, Y. and Cong, W. T. and Zhu, Z. Q. and Chu, J. H. and Peng, W., E-mail: wpeng@ecnu.edu.cn},
abstractNote = {Spintronic and electronic properties of a neutral oxygen-vacancy (O-V) center, an isoelectronic defect similar to the negatively charged nitrogen-vacancy center in diamond, were studied by combining first-principles calculations and a mean-field theory for spin hyperfine interaction. It is elucidated that the neutral O-V center is stable in the p-type diamond and possesses an S = 1 triplet ground state and four spin-conserved excited states with the spin coherence times in an order of second at T = 0 K. The results indicate that the neutral O-V center is another promising candidate for spin coherent manipulation and qubit operation.},
doi = {10.1063/1.4892654},
journal = {Applied Physics Letters},
number = 5,
volume = 105,
place = {United States},
year = {Mon Aug 04 00:00:00 EDT 2014},
month = {Mon Aug 04 00:00:00 EDT 2014}
}
  • A study of the pressure and temperature dependences of the electron thermal emission rate and capture cross section for the oxygen-vacancy (O-V) pair (or A center) deep level in n-type silicon is presented. The results allow characterization of the three important thermodynamic parameters, namely the Gibbs free energy, the enthalpy, and the entropy associated with electron emission from this level and their pressure dependences. Analysis of the results leads to the following highlights of the work. (1) There is a large breathing-mode lattice relaxation accompanying electron emission. The sign of this effect implies that the lattice relaxes inward (i.e., contracts)more » upon emission and outward (i.e., expands) upon capture. The sign is in agreement with the prediction of a model for the O-V pair defect based on EPR results but, as far as we know, the present results provide the first and only quantitative measure of this relaxation. (2) The energy of this level is not pinned to either the conduction- or valence-band edges. The level moves higher in the gap with pressure consistent with its expected antibonding character. (3) The electron-capture cross section is found to be essentially temperature and pressure independent. It is suggested that this result can be understood in terms of nonradiative electron capture by multiphonon emission.« less
  • Over the oxygen composition range 2.5{<=}x{<=}3.0, the SrFeO{sub x} system exists as four distinct compounds with the nominal composition Sr{sub n}Fe{sub n}O{sub 3n-1} (n=2, 4, 8, and {infinity}). The end member SrFeO{sub 3} (n={infinity}) possesses a simple cubic perovskite crystal structure, whereas the oxygen-deficient (n=2, 4, and 8) members each adopt a different vacancy-ordered perovskite crystal structure. Using time-of-flight neutron powder diffraction, we show that previously proposed structures for the Sr{sub 4}Fe{sub 4}O{sub 11} (n=4) and Sr{sub 8}Fe{sub 8}O{sub 23} (n=8) compounds are incorrect. We determine the correct crystal structures for Sr{sub 4}Fe{sub 4}O{sub 11} (orthorhombic, space group Cmmm, a=10.974(1)more » {angstrom}, b=7.702(1) {angstrom}, and c=5.473(1) {angstrom}) and Sr{sub 8}Fe{sub 8}O{sub 23} (tetragonal, space group I4/mmm, a=10.929(1) {angstrom} and c=7.698(1) {angstrom}) through comparisons of the goodness of fit for Rietveld refinements of candidate models and bond-length distributions for each model. Using the correct crystal structures, we are able to assign valence states to the Fe crystallographic sites and to achieve consistency with published Moessbauer results for the same compounds.« less