TY - JOUR
T1 - Charge-state stability of color centers in wide band gap semiconductors
AU - Defo, Rodrick Kuate
AU - Rodriguez, Alejandro W.
AU - Richardson, Steven L.
N1 - Publisher Copyright:
© 2023 authors. Published by the American Physical Society. Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.
PY - 2023/12/15
Y1 - 2023/12/15
N2 - The NV- color center in diamond has been extensively investigated for applications in quantum sensing, computation, and communication. Nonetheless, charge-state decay from the NV- to its neutral counterpart the NV0 detrimentally affects the robustness of the NV- center and remains to be fully overcome. In this work, we provide an ab initio formalism for accurately estimating the rate of charge-state decay of color centers in wide band gap semiconductors. Our formalism employs density functional theory calculations in the context of thermal equilibrium. We illustrate the method using the transition of NV- to NV0 in the presence of substitutional N [see Z. Yuan, Phys. Rev. Res. 2, 033263 (2020)2643-156410.1103/PhysRevResearch.2.033263].
AB - The NV- color center in diamond has been extensively investigated for applications in quantum sensing, computation, and communication. Nonetheless, charge-state decay from the NV- to its neutral counterpart the NV0 detrimentally affects the robustness of the NV- center and remains to be fully overcome. In this work, we provide an ab initio formalism for accurately estimating the rate of charge-state decay of color centers in wide band gap semiconductors. Our formalism employs density functional theory calculations in the context of thermal equilibrium. We illustrate the method using the transition of NV- to NV0 in the presence of substitutional N [see Z. Yuan, Phys. Rev. Res. 2, 033263 (2020)2643-156410.1103/PhysRevResearch.2.033263].
UR - http://www.scopus.com/inward/record.url?scp=85181033920&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85181033920&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.108.235208
DO - 10.1103/PhysRevB.108.235208
M3 - Article
AN - SCOPUS:85181033920
SN - 2469-9950
VL - 108
JO - Physical Review B
JF - Physical Review B
IS - 23
M1 - 235208
ER -