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Spin-phonon relaxation of boron vacancy centers in two-dimensional boron nitride polytypes

Nasrin Estaji1, Ismaeil Abdolhosseini Sarsari1,*, Gergő Thiering2, and Adam Gali2,3,4,†

  • *Contact author: abdolhosseini@iut.ac.ir
  • †Contact author: gali.adam@wigner.hun-ren.hu

Phys. Rev. B 112, L201407 – Published 21 November, 2025

DOI: https://doi.org/10.1103/gqfq-5rb4

Abstract

Two-dimensional (2D) materials hosting color centers and spin defects are emerging as key platforms for quantum technologies. However, the impact of reduced dimensionality on the spin-lattice relaxation time (T1) of embedded defect spins—critical for quantum applications—has remained largely unexplored. In this study, we present a systematic first-principles investigation of the negatively charged boron-vacancy (VB−) defect in monolayer boron nitride (BN), as well as in AA′-stacked hexagonal BN (hBN) and ABC-stacked rhombohedral BN (rBN). Our results reveal that the T1 times of VB− in monolayer BN and hBN are nearly identical at room temperature. Surprisingly, despite the symmetry reduction in rBN that opens additional spin relaxation channels, VB− exhibits a longer T1 compared to hBN. We attribute this effect to the stiffer out-of-plane phonon modes in rBN, which activate spin-phonon relaxation at reduced strength. These findings suggest that VB− in rBN offers enhanced spin coherence properties, making it a promising candidate for quantum technology applications.

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