Research paperComputational DFTComputational Kinetic ModelComputed PhononSpin-phonon decoherence in solid-state paramagnetic defects from first principlesSourav Mondal, Alessandro LunghiarXiv·2023·10.5281/zenodo.7596042·arXiv:2212.11705AbstractAb initio spin dynamics simulations of paramagnetic defects in diamond and hexagonal boron nitride reproduce the experimental temperature dependence of spin relaxation and coherence times. The work shows that low-frequency two-phonon modulation of the zero-field splitting governs spin relaxation and decoherence, and that vibrations in 2D materials can lead to shorter coherence times.Read more
Nitrogen-vacancy defect in diamond modeled in a defect-containing unit cell.2 characterizations4 properties2 figuresSimulated Supercell DftCStudied MaterialNVStudied MaterialExpand
Negative boron vacancy defect embedded in a 6x6 h-BN supercell.2 characterizations5 properties2 figuresSimulated Supercell DftBNStudied MaterialVBStudied MaterialExpand
Research paperComputational DFTComputational Kinetic ModelComputed PhononSpin-phonon decoherence in solid-state paramagnetic defects from first principlesSourav Mondal, Alessandro LunghiarXiv·2023·10.5281/zenodo.7596042·arXiv:2212.11705AbstractAb initio spin dynamics simulations of paramagnetic defects in diamond and hexagonal boron nitride reproduce the experimental temperature dependence of spin relaxation and coherence times. The work shows that low-frequency two-phonon modulation of the zero-field splitting governs spin relaxation and decoherence, and that vibrations in 2D materials can lead to shorter coherence times.Read more
Nitrogen-vacancy defect in diamond modeled in a defect-containing unit cell.2 characterizations4 properties2 figuresSimulated Supercell DftCStudied MaterialNVStudied MaterialExpand
Negative boron vacancy defect embedded in a 6x6 h-BN supercell.2 characterizations5 properties2 figuresSimulated Supercell DftBNStudied MaterialVBStudied MaterialExpand
Research paperComputational DFTComputational Kinetic ModelComputed PhononSpin-phonon decoherence in solid-state paramagnetic defects from first principlesSourav Mondal, Alessandro LunghiarXiv·2023·10.5281/zenodo.7596042·arXiv:2212.11705AbstractAb initio spin dynamics simulations of paramagnetic defects in diamond and hexagonal boron nitride reproduce the experimental temperature dependence of spin relaxation and coherence times. The work shows that low-frequency two-phonon modulation of the zero-field splitting governs spin relaxation and decoherence, and that vibrations in 2D materials can lead to shorter coherence times.Read more
Nitrogen-vacancy defect in diamond modeled in a defect-containing unit cell.2 characterizations4 properties2 figuresSimulated Supercell DftCStudied MaterialNVStudied MaterialExpand
Negative boron vacancy defect embedded in a 6x6 h-BN supercell.2 characterizations5 properties2 figuresSimulated Supercell DftBNStudied MaterialVBStudied MaterialExpand
Research paperComputational DFTComputational Kinetic ModelComputed PhononSpin-phonon decoherence in solid-state paramagnetic defects from first principlesSourav Mondal, Alessandro LunghiarXiv·2023·10.5281/zenodo.7596042·arXiv:2212.11705AbstractAb initio spin dynamics simulations of paramagnetic defects in diamond and hexagonal boron nitride reproduce the experimental temperature dependence of spin relaxation and coherence times. The work shows that low-frequency two-phonon modulation of the zero-field splitting governs spin relaxation and decoherence, and that vibrations in 2D materials can lead to shorter coherence times.Read more
Nitrogen-vacancy defect in diamond modeled in a defect-containing unit cell.2 characterizations4 properties2 figuresSimulated Supercell DftCStudied MaterialNVStudied MaterialExpand
Negative boron vacancy defect embedded in a 6x6 h-BN supercell.2 characterizations5 properties2 figuresSimulated Supercell DftBNStudied MaterialVBStudied MaterialExpand
