Regensburg 2022 – scientific programme
Parts | Days | Selection | Search | Updates | Downloads | Help
HL: Fachverband Halbleiterphysik
HL 30: Poster 2
HL 30.1: Poster
Thursday, September 8, 2022, 11:00–13:00, P3
NV− center in the vicinity of linear defects in diamond — •Reyhaneh Ghassemizadeh1, Wolfgang Krörner1, Daniel Urban1, and Christian Elsässer1,2 — 1Fraunhofer Institute for Mechanics of Materials IWM, Wöhlerstr. 11, 79108 Freiburg, Germany — 2University of Freiburg, Freiburg Materials Research Center (FMF), Stefan-Meier-Straße 21, 79104 Freiburg, Germany
The NV− center is a point-defect complex in the diamond crystal with an excellent potential for implementing qubits in future quantum computing hardware. However, the structuring of point defects on the atomic scale remains an experimental challenge. Here we study theoretically the interaction between dislocations and the NV− center. We evaluate to which extent dislocation lines that are naturally present in the diamond crystal may be used for structuring NV− center as a first step towards a NV-based quantum register. Using density functional theory (DFT) we model NV− centers in the vicinity of the most common dislocations in diamond and calculate the defect formation energy, structural geometry, defect levels and zero-field (ZFS) parameters. Our simulations reveal that dislocations potentially trap the NV− with an energy release of up to 3 eV. Although the analysis of geometry, defect levels and ZFS parameters of NV− centers being close to dislocations in general show strong deviations from their values in the perfect bulk structure, the lowest energy configuration of a NV− center at the reconstructed dislocation cores have ZFS values with less than 5% deviation from their NV− bulk values. Our results opens new insights for the design of NV-based quantum computing devices.