TY  - JOUR
AU  - Garai-Marin, Haritz
AU  - Dias, Manuel dos Santos
AU  - Lounis, Samir
AU  - Ibañez-Azpiroz, Julen
AU  - Eiguren, Asier
TI  - Microscopic theory of spin relaxation of a single Fe adatom coupled to substrate vibrations
JO  - Physical review / B
VL  - 107
IS  - 14
SN  - 2469-9950
CY  - Woodbury, NY
PB  - Inst.
M1  - FZJ-2023-04816
SP  - 144417
PY  - 2023
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000976430400005
DO  - DOI:10.1103/PhysRevB.107.144417
UR  - https://juser.fz-juelich.de/record/1018441
ER  -