SAMOP 2023 – scientific programme

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QI: Fachverband Quanteninformation

QI 28: Spin Qubits

QI 28.4: Talk

Thursday, March 9, 2023, 12:00–12:15, F428

Perspectives for a solid-state-based quantum register based on NV centers aligned along linear crystal defects in diamond — •Reyhaneh Ghassemizadeh, Wolfgang Körner, Daniel F. Urban, and Christian Elsässer — Fraunhofer Institute for Mechanics of Materials IWM, Wöhlerstr. 11, 79108 Freiburg, Germany

Due to its outstanding coherence properties, the negatively charged nitrogen-vacancy defect (NV center) in diamond has an excellent potential for implementing qubits in future solid-state-based quantum computing hardware. However, the structuring of point defects on the atomic scale remains an experimental challenge. We present a theoretical study using density functional theory (DFT) on the interaction between one dimensional crystal defects (dislocations) and NV centers [1]. We evaluate to which extent dislocation lines that are naturally present in diamond may be used for structuring NV centers. We model the most common types of dislocations in diamond and evaluate their influence on the defect formation energy, structural geometry, electronic defect levels and zero-field splitting (ZFS) parameters of NV centers in close proximity. Our simulations reveal that dislocations potentially trap NV defects with an energy release of up to 3 eV. In general, the properties of NV centers at dislocations show strong deviations with respect to their bulk values. However, the lowest energy configuration of a NV center at the core of a 30^∘ partial glide dislocation shows very bulk-like properties. This opens the perspective to align multiple functional NV centers in a linear-chain arrangement.

[1] R. Ghassemizadeh, et al., Phys. Rev. B 106, 174111 (2022)