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Title: Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum technologies

Spin defects in wide-band gap semiconductors are promising systems for the realization of quantum bits, or qubits, in solid-state environments. To date, defect qubits have only been realized in materials with strong covalent bonds. Here, we introduce a strain-driven scheme to rationally design defect spins in functional ionic crystals, which may operate as potential qubits. In particular, using a combination of state-of-the-art ab-initio calculations based on hybrid density functional and many-body perturbation theory, we predicted that the negatively charged nitrogen vacancy center in piezoelectric aluminum nitride exhibits spin-triplet ground states under realistic uni- and bi-axial strain conditions; such states may be harnessed for the realization of qubits. As a result, the strain-driven strategy adopted here can be readily extended to a wide range of point defects in other wide-band gap semiconductors, paving the way to controlling the spin properties of defects in ionic systems for potential spintronic technologies.
Authors:
 [1] ;  [2] ;  [2]
  1. Univ. of Chicago, Chicago, IL (United States)
  2. Univ. of Chicago, Chicago, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 6; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; electronic structure; Marco Govoni & Giulia Galli
OSTI Identifier:
1239598

Seo, Hosung, Govoni, Marco, and Galli, Giulia. Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum technologies. United States: N. p., Web. doi:10.1038/srep20803.
Seo, Hosung, Govoni, Marco, & Galli, Giulia. Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum technologies. United States. doi:10.1038/srep20803.
Seo, Hosung, Govoni, Marco, and Galli, Giulia. 2016. "Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum technologies". United States. doi:10.1038/srep20803. https://www.osti.gov/servlets/purl/1239598.
@article{osti_1239598,
title = {Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum technologies},
author = {Seo, Hosung and Govoni, Marco and Galli, Giulia},
abstractNote = {Spin defects in wide-band gap semiconductors are promising systems for the realization of quantum bits, or qubits, in solid-state environments. To date, defect qubits have only been realized in materials with strong covalent bonds. Here, we introduce a strain-driven scheme to rationally design defect spins in functional ionic crystals, which may operate as potential qubits. In particular, using a combination of state-of-the-art ab-initio calculations based on hybrid density functional and many-body perturbation theory, we predicted that the negatively charged nitrogen vacancy center in piezoelectric aluminum nitride exhibits spin-triplet ground states under realistic uni- and bi-axial strain conditions; such states may be harnessed for the realization of qubits. As a result, the strain-driven strategy adopted here can be readily extended to a wide range of point defects in other wide-band gap semiconductors, paving the way to controlling the spin properties of defects in ionic systems for potential spintronic technologies.},
doi = {10.1038/srep20803},
journal = {Scientific Reports},
number = 1,
volume = 6,
place = {United States},
year = {2016},
month = {2}
}