%0 Journal Article
%A Garai-Marin, Haritz
%A Dias, Manuel dos Santos
%A Lounis, Samir
%A Ibañez-Azpiroz, Julen
%A Eiguren, Asier
%T Microscopic theory of spin relaxation of a single Fe adatom coupled to substrate vibrations
%J Physical review / B
%V 107
%N 14
%@ 2469-9950
%C Woodbury, NY
%I Inst.
%M FZJ-2023-04816
%P 144417
%D 2023
%X 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 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000976430400005
%R 10.1103/PhysRevB.107.144417
%U https://juser.fz-juelich.de/record/1018441