Microscopic theory of spin-relaxation of a single Fe adatom coupled to substrate vibrations
arXiv:2212.09653 · doi:10.1103/PhysRevB.107.144417
Abstract
Understanding the spin-relaxation mechanism of single adatoms is an essential step towards creating atomic magnetic memory bits or even qubits. Here we present an essentially parameter-free theory by combining \textit{ab-initio} electronic and vibrational properties with the many-body nature of atomic states. Our calculations account for the millisecond spin lifetime measured recently on Fe adatoms on MgO/Ag(100) and reproduce the dependence on the number of decoupling layers and the external magnetic field. We show how the atomic interaction with the environment should be tuned in order to enhance the magnetic stability, and propose a clear fingerprint for experimentally detecting a localized spin-phonon excitation.
References in corpus (26)
- The SIESTA method for ab initio order-N materials simulation
- Efficient index handling of multidimensional periodic boundary conditions
- Electron-phonon interactions from first principles
- First-principles investigation of the very large Perpendicular Magnetic Anisotropy at Fe|MgO Interfaces
- Reading and Writing Single-Atom Magnets
- The role of magnetic anisotropy in the Kondo effect
- A complete ab initio view of Orbach and Raman spin-lattice relaxation in a Dysprosium coordination compound
- Spin Excitations and Correlations in Scanning Tunneling Spectroscopy
- Role of vibrations on decoherence in molecular spin qubits: The case of [Cu(mnt)]
- Theory of single spin inelastic tunneling spectroscopy
- Tuning the exchange bias on a single atom from 1 mT to 10 T
- Thermal and magnetic field stability of holmium single atom magnets
- Spin decoherence of magnetic atoms on surfaces
- Longitudinal and transverse electron paramagnetic resonance in a scanning tunneling microscope
- Dynamical magnetic excitations of nanostructures from first-principles
- A cotunneling mechanism for all-electrical Electron Spin Resonance of single adsorbed atoms
- Transverse dynamical magnetic susceptibilities from regular static density functional theory: Evaluation of damping and g-shifts of spin-excitations
- A theoretical review on the single-impurity electron spin resonance on surfaces
- Zero-point spin-fluctuations of single adatoms
- Efficient Ab-initio Multiplet Calculations for Magnetic Adatoms on MgO
- Electronic properties of transition metal atoms on CuN/Cu(100)
- Complete reversal of the atomic unquenched orbital moment by a single electron
- Longitudinal and transverse spin relaxation times of magnetic single adatoms: an ab initio analysis
- Tuning paramagnetic spin-excitations of single adatoms
- Zero-point quantum swing of magnetic couples
- Electron-phonon coupling of Fe-adatom electron states on MgO/Ag(100)