• Corpus ID: 96425694

Spin-Phonon Relaxation in Molecular Qubits from First Principles Spin Dynamics

  title={Spin-Phonon Relaxation in Molecular Qubits from First Principles Spin Dynamics},
  author={Alessandro Lunghi and Stefano Sanvito},
  journal={arXiv: Quantum Physics},
The coupling between electronic spins and lattice vibrations is fundamental for driving relaxation in magnetic materials. The debate over the nature of spin-phonon coupling dates back to the 40's, but the role of spin-spin, spin-orbit and hyperfine interactions, has never been fully established. Here we present a comprehensive study of the spin dynamics of a crystal of Vanadyl-based molecular qubits by means of first-order perturbation theory and first-principles calculations. We quantitatively… 

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