TY  - JOUR
AU  - Schweflinghaus, Benedikt
AU  - dos Santos Dias, Manuel
AU  - Lounis, Samir
TI  - Observing spin excitations in 3 d transition-metal adatoms on Pt(111) with inelastic scanning tunneling spectroscopy: A first-principles perspective
JO  - Physical review / B
VL  - 93
IS  - 3
SN  - 2469-9950
CY  - College Park, Md.
PB  - APS
M1  - FZJ-2016-01468
SP  - 035451
PY  - 2016
AB  - Spin excitations in atomic-scale nanostructures have been investigated with inelastic scanning tunneling spectroscopy, sometimes with conflicting results. In this work, we present a theoretical viewpoint on a recent experimental controversy regarding the spin excitations of Co adatoms on Pt(111). While one group [Balashov et al., Phys. Rev. Lett. 102, 257203 (2009)] claims to have detected them, another group reported their observation only after the hydrogenation of the Co adatom [Dubout et al., Phys. Rev. Lett. 114, 106807 (2015)]. Utilizing time-dependent density functional theory in combination with many-body perturbation theory, we demonstrate that, although inelastic spin excitations are possible for Cr, Mn, Fe, and Co adatoms, their efficiency differs. While the excitation signature is less pronounced for Mn and Co adatoms, it is larger for Cr and Fe adatoms. We find that the tunneling matrix elements or the tunneling cross-section related to the nature and symmetry of the relevant electronic states are more favorable for triggering the spin excitations in Fe than in Co. An enhancement of the tunneling and of the inelastic spectra is possible by attaching hydrogen to the adatom at the appropriate position.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000369220400005
DO  - DOI:10.1103/PhysRevB.93.035451
UR  - https://juser.fz-juelich.de/record/281799
ER  -