Regensburg 2019 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 49: Focus Session: Spins on Surfaces II (joint session O/MA)
MA 49.9: Vortrag
Donnerstag, 4. April 2019, 17:15–17:30, H15
Ab-initio study of the electron-phonon interaction of a single Fe adatom on the MgO/Ag(100) surface — •haritz garai-marin1,2, julen ibañez-azpiroz3, peio g. goiricelaya1,2, idoia g. gurtubay1,2, and asier eiguren1,2 — 1Materia Kondentsatuaren Fisika saila, Euskal Herriko Unibertsitatea UPV/EHU, Bilbo, Spain — 2Donostia International Physics Center, Donostia, Spain — 3Centro de Física de Materiales CSIC-UPV/EHU, Donostia, Spain
Breakthrough experimental studies have recently shown that it is possible to create stable magnetic quantum states in individual adatoms [1,2]. While the role of electronic interactions on the magnetic stability has been thoroughly investigated theoretically [3], the coupling with phonons has attracted much less attention. The aim of this work is to study, via ab-initio calculations, the effect of the electron-phonon interaction (EPI) in Fe adatoms deposited on MgO/Ag(100), a benchmark system where the EPI is believed to determine to large extent its magnetic stability [2]. Here we present the calculated electronic structure and vibrational dynamics of this system, including the local vibrations of the adatom. Furthermore, we analyze the effect of the EPI on the magnetic stability via the renormalization of the electronic properties of the adatom.
[1] F. Donati et. al., Science 352, 318 (2016). F. D. Natterer et. al., PRL 121, 27201 (2018). [2] W. Paul et. al., Nat. Phys. 13, 403 (2017). [3] N. Lorente and J.-P. Gauyacq, PRL 103, 176601 (2009). J. Fernández-Rossier, PRL 102, 256802 (2009). J. Ibañez-Azpiroz et. al., Nano Lett. 16, 4305 (2016).