Bulletin of the American Physical Society
APS March Meeting 2017
Volume 62, Number 4
Monday–Friday, March 13–17, 2017; New Orleans, Louisiana
Session H48: Single-Spin Systems in Semiconductors
2:30 PM–5:30 PM,
Tuesday, March 14, 2017
Sponsoring Units: GMAG DMP DCOMP FIAP
Chair: Greg Fuchs, Cornell University
Abstract ID: BAPS.2017.MAR.H48.13
Abstract: H48.00013 : First-principles simulations of transition metal ions in silicon as potential quantum bits*
5:18 PM–5:30 PM
Preview Abstract Abstract
(The University of Chicago, Department of Chemistry and Institute for Molecular Engineering)
(The University of Chicago, Institute for Molecular Engineering)
(The University of Chicago, Institute for Molecular Engineering and Argonne National Laboratory)
Optically active spin defects in semiconductors have gained increasing attention in recent years for use as potential solid-state quantum bits (or qubits). Examples include the nitrogen-vacancy center in diamond, transition metal impurities, and rare earth ions. In this talk, we present first-principles theoretical results on group 6 transition metal ion (Chromium, Molybdenum and Tungsten) impurities in silicon, and we investigate their potential use as qubits. We used density functional theory (DFT) to calculate defect formation energies and we found that transition metal ions have lower formation energies at interstitial than substitutional sites. We also computed the electronic structure of the defects with particular attention to the position of the defect energy levels with respect to the silicon band edges. Based on our results, we will discuss the possibility of implementing qubits in silicon using group 6 transition metal ions.
*This work is supported by the National Science Foundation (NSF) through the University of Chicago MRSEC under award number DMR-1420709.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2017.MAR.H48.13
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