Symmetric carbon tetramers forming chemically stable spin qubits in hexagonal boron nitride

ORAL

Abstract

Point defect quantum bits in semiconductors have the potential to revolutionize sensing at atomic scales. Currently, vacancy related defects, such as the NV center in diamond and the VB− in hexagonal boron nitride (hBN), are at the forefront of high spatial resolution and low dimensional sensing. On the other hand, vacancies' reactive nature and instability at the surface limit further developments. Here, we present the symmetric carbon tetramers (C4) in hBN and propose them as a chemically stable spin qubit for sensing in low dimensions. We utilize periodic-DFT and many-body quantum chemistry approaches to reliably and accurately predict the electronic, optical, and spin properties of the studied defect, such as radiative and nonradiative lifetimes and photoluminescence spectra. We show that the nitrogen centered symmetric carbon tetramer gives rise to spin state dependent optical signals with strain sensitive intersystem crossing rates.

* This research was supported by the National Research, Development, and Innovation Office of Hungary within the Quantum Information National Laboratory of Hungary (Grant No. 2022- 19 2.1.1-NL-2022-00004) and within grants FK 135496 and FK 145395. V.I. also appreciates support from the Knut and Alice Wallenberg Foundation through WBSQD2 project (Grant No. 2018.0071). The calculations were performed on resources provided by the Swedish National Infrastructure for Computing (SNIC) at the National Supercomputer Centre (NSC). We acknowledge KIFÜ for awarding us access to computational resource based in Hungary.

Publication: Benedek, Z., Babar, R., Ganyecz, Á., Szilvási, T., Legeza, Ö., Barcza, G., Ivády, V. Symmetric carbon tetramers forming spin qubits in hexagonal boron nitride. npj Comput Mater 9, 187 (2023). https://doi.org/10.1038/s41524-023-01135-z

Presenters

  • Zsolt Benedek

    Eotvos Lorand University

Authors

  • Zsolt Benedek

    Eotvos Lorand University

  • Rohit Babar

    Wigner Research Center for Physics, Wigner Research Centre for Physics

  • Ádám Ganyecz

    Wigner Research Center for Physics

  • Tibor Szilvási

    University of Alabama

  • Örs Legeza

    Wigner Research Centre for Physics

  • Gergely Barcza

    Wigner Research Center for Physics, Wigner Research Centre for Physics, WIgner Research Centre for Physics

  • Viktor Ivady

    Eötvös Loránd University