SKM 2023 – scientific programme

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O: Fachverband Oberflächenphysik

O 15: Spins on Surfaces at the Atomic Scale II

O 15.9: Talk

Monday, March 27, 2023, 17:00–17:15, REC C 213

Microscopic theory of spin-relaxation of a single Fe adatom coupled to substrate vibrations — •Haritz Garai-Marin^1,2, Manuel dos Santos Dias^3,4,5, Samir Lounis^3,4, Julen Ibañez-Azpiroz^6,7, and Asier Eiguren^1,2,8 — ¹Physics Department, University of the Basque Country UPV/EHU, Bilbao, Spain — ²Donostia International Physics Center, Donostia, Spain — ³Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich & JARA, Jülich, Germany — ⁴Faculty of Physics, University of Duisburg-Essen & CENIDE, Duisburg, Germany — ⁵Scientific Computing Department, STFC Daresbury Laboratory, Warrington, United Kingdom — ⁶Centro de Física de Materiales CSIC-UPV/EHU, Donostia, Spain — ⁷IKERBASQUE Basque Foundation for Science, Bilbao, Spain — ⁸EHU Quantum Center, University of the Basque Country UPV/EHU

Understanding the spin-relaxation mechanism of single adatoms is an essential step towards creating atomic magnetic memory bits or quantum bits. Here we present a theory to study the role of electron-phonon coupling by combining ab-initio electronic and vibrational properties with the multiplet many-body nature of atomic states. Our calculations reproduce the millisecond spin lifetime measured on Fe adatoms on MgO/Ag(100), which demonstrates that the essential features of the spin-phonon coupling are successfully captured. We show a clear fingerprint for experimentally detecting a localized spin-phonon excitation and we show how the atomic interaction with the environment should be tuned in order to enhance the magnetic stability.