Spin Qubit Properties of the Boron-Vacancy/Carbon Defect in the Two-Dimensional Hexagonal Boron Nitride
Fuente:
arXiv
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866908313326714880 |
|---|---|
| author | Stolbov, Sergey Ortigoza, Marisol Alcántara |
| author_facet | Stolbov, Sergey Ortigoza, Marisol Alcántara |
| contents | Spin qubit defects in two-dimensional materials have a number of advantages over those in three-dimensional hosts including simpler technologies for the defect creation and control, as well as qubit accessibility. In this work, we select the VBCB defect in the hexagonal boron nitride (hBN) as a possible optically controllable spin qubit and explain its triplet ground state and neutrality. In this defect a boron vacancy is combined with a carbon dopant substituting the closest boron atom to the vacancy. Our density-functional-theory calculations confirmed that the system has dynamically stable spin triplet and singlet ground states. As revealed from our linear response GW calculations, the spin-sensitive electronic states are localized around the three undercoordinated N atoms and make local peaks in the density of electronic states within the bandgap. Using the triplet and singlet ground state energies, as well as the energies of the optically excited states, obtained from solution to the Bethe-Salpeter equation, we construct the spin-polarization cycle, which is found to be favorable for the spin qubit initialization. The calculated zero-field splitting parameters ensure that the splitting energy between the spin projections in the triplet ground state is comparable to that of the known spin qubits. We thus propose the VBCB defect in hBN as a promising spin qubit. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2504_08099 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Spin Qubit Properties of the Boron-Vacancy/Carbon Defect in the Two-Dimensional Hexagonal Boron Nitride Stolbov, Sergey Ortigoza, Marisol Alcántara Other Condensed Matter Spin qubit defects in two-dimensional materials have a number of advantages over those in three-dimensional hosts including simpler technologies for the defect creation and control, as well as qubit accessibility. In this work, we select the VBCB defect in the hexagonal boron nitride (hBN) as a possible optically controllable spin qubit and explain its triplet ground state and neutrality. In this defect a boron vacancy is combined with a carbon dopant substituting the closest boron atom to the vacancy. Our density-functional-theory calculations confirmed that the system has dynamically stable spin triplet and singlet ground states. As revealed from our linear response GW calculations, the spin-sensitive electronic states are localized around the three undercoordinated N atoms and make local peaks in the density of electronic states within the bandgap. Using the triplet and singlet ground state energies, as well as the energies of the optically excited states, obtained from solution to the Bethe-Salpeter equation, we construct the spin-polarization cycle, which is found to be favorable for the spin qubit initialization. The calculated zero-field splitting parameters ensure that the splitting energy between the spin projections in the triplet ground state is comparable to that of the known spin qubits. We thus propose the VBCB defect in hBN as a promising spin qubit. |
| title | Spin Qubit Properties of the Boron-Vacancy/Carbon Defect in the Two-Dimensional Hexagonal Boron Nitride |
| topic | Other Condensed Matter |
| url | https://arxiv.org/abs/2504.08099 |