Research paperComputational DFTComputed PhononTheoreticalSpin-Phonon Relaxation of Boron-Vacancy Centers in Two-Dimensional Boron Nitride PolytypesNasrin Estaji, Ismaeil Abdolhosseini Sarsari, Gergő Thiering, Adam GaliarXiv·2025·10.1103/gqfq-5rb4·arXiv:2504.00154AbstractA first-principles study of spin-lattice relaxation of the negatively charged boron-vacancy defect in monolayer BN, AA′-stacked hexagonal BN, and ABC-stacked rhombohedral BN. The work compares calculated relaxation rates and phonon-mediated spin-phonon spectral functions across BN polytypes, finding similar room-temperature behavior in monolayer BN and hBN and a longer T₁ in rBN than in hBN due to stiffer out-of-plane phonons.Read more
Freestanding monolayer BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization2 properties1 figureSimulated Supercell DftBNStudied MaterialExpand
AA′-stacked hexagonal BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization2 properties1 figureSimulated Supercell DftBNStudied MaterialExpand
ABC-stacked rhombohedral BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization1 property1 figureSimulated Supercell DftBNStudied MaterialExpand
Research paperComputational DFTComputed PhononTheoreticalSpin-Phonon Relaxation of Boron-Vacancy Centers in Two-Dimensional Boron Nitride PolytypesNasrin Estaji, Ismaeil Abdolhosseini Sarsari, Gergő Thiering, Adam GaliarXiv·2025·10.1103/gqfq-5rb4·arXiv:2504.00154AbstractA first-principles study of spin-lattice relaxation of the negatively charged boron-vacancy defect in monolayer BN, AA′-stacked hexagonal BN, and ABC-stacked rhombohedral BN. The work compares calculated relaxation rates and phonon-mediated spin-phonon spectral functions across BN polytypes, finding similar room-temperature behavior in monolayer BN and hBN and a longer T₁ in rBN than in hBN due to stiffer out-of-plane phonons.Read more
Freestanding monolayer BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization2 properties1 figureSimulated Supercell DftBNStudied MaterialExpand
AA′-stacked hexagonal BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization2 properties1 figureSimulated Supercell DftBNStudied MaterialExpand
ABC-stacked rhombohedral BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization1 property1 figureSimulated Supercell DftBNStudied MaterialExpand
Research paperComputational DFTComputed PhononTheoreticalSpin-Phonon Relaxation of Boron-Vacancy Centers in Two-Dimensional Boron Nitride PolytypesNasrin Estaji, Ismaeil Abdolhosseini Sarsari, Gergő Thiering, Adam GaliarXiv·2025·10.1103/gqfq-5rb4·arXiv:2504.00154AbstractA first-principles study of spin-lattice relaxation of the negatively charged boron-vacancy defect in monolayer BN, AA′-stacked hexagonal BN, and ABC-stacked rhombohedral BN. The work compares calculated relaxation rates and phonon-mediated spin-phonon spectral functions across BN polytypes, finding similar room-temperature behavior in monolayer BN and hBN and a longer T₁ in rBN than in hBN due to stiffer out-of-plane phonons.Read more
Freestanding monolayer BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization2 properties1 figureSimulated Supercell DftBNStudied MaterialExpand
AA′-stacked hexagonal BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization2 properties1 figureSimulated Supercell DftBNStudied MaterialExpand
ABC-stacked rhombohedral BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization1 property1 figureSimulated Supercell DftBNStudied MaterialExpand
Research paperComputational DFTComputed PhononTheoreticalSpin-Phonon Relaxation of Boron-Vacancy Centers in Two-Dimensional Boron Nitride PolytypesNasrin Estaji, Ismaeil Abdolhosseini Sarsari, Gergő Thiering, Adam GaliarXiv·2025·10.1103/gqfq-5rb4·arXiv:2504.00154AbstractA first-principles study of spin-lattice relaxation of the negatively charged boron-vacancy defect in monolayer BN, AA′-stacked hexagonal BN, and ABC-stacked rhombohedral BN. The work compares calculated relaxation rates and phonon-mediated spin-phonon spectral functions across BN polytypes, finding similar room-temperature behavior in monolayer BN and hBN and a longer T₁ in rBN than in hBN due to stiffer out-of-plane phonons.Read more
Freestanding monolayer BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization2 properties1 figureSimulated Supercell DftBNStudied MaterialExpand
AA′-stacked hexagonal BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization2 properties1 figureSimulated Supercell DftBNStudied MaterialExpand
ABC-stacked rhombohedral BN supercell containing a negatively charged boron-vacancy defect (VB^-).1 characterization1 property1 figureSimulated Supercell DftBNStudied MaterialExpand