2016/02/02 by Hosung Seo, Marco Govoni, Seo, Hosung +3 · 2 citations
Engineering · Materials Science · Physics and Astronomy · #Ab initio #Acoustic Wave Resonator Technologies #Band gap #Condensed matter physics #Density functional theory #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Ion #Ionic bonding #Materials Science (cond-mat.mtrl-sci) #Materials science #Nanotechnology #Optoelectronics #Physics #Piezoelectricity #Quantum #Quantum Physics (quant-ph) #Quantum computer #Quantum mechanics #Qubit #Realization (probability) #Semiconductor #Semiconductor materials and devices #Spin (aerodynamics) #Spins #Spintronics #cond-mat.mtrl-sci #quant-ph
paper · pdf · doi:10.48550/arxiv.1602.01079
published in arXiv (Cornell University) (Cornell University) · In press. 32 pages, 4 figures, 3 tables, Scientific Reports 2016
arxiv created 2016/02/02 · openalex publication_date 2016/02/02 · arxiv updated 2016/02/03 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/06
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. 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.