SKM 2021 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 5: Poster Session: Superconductivity
TT 5.3: Poster
Montag, 27. September 2021, 13:30–16:00, P
Relativistic first principles theory of Yu–Shiba–Rusinov states: Mn dimers on Nb(110) — •Bendegúz Nyári1, András Lászlóffy2, László Szunyogh1, and Balázs Újfalussy2 — 1Budapest University of Technology and Economics, Budapest, Hungary — 2Wigner RCP, ELKH, Budapest, Hungary
The local magnetic moments of magnetic impurities at superconducting surfaces break the Cooper pairs leading to the formation of localized bound states within the superconducting gap, called as Yu–Shina–Rusinov (YSR) states. In the present work we introduce an ab initio theory based on the Green’s function embedding technique within the Korringa–Kohn-Rostoker method to solve the Bogoliubov–de Gennes equations for the impurities. We present a detailed study of a Mn adatom and various Mn dimers at the surface of Nb(110), as the building blocks of atomic chains expected to host Majorana zero modes. From the calculated local density of states (LDOS) the spatial distribution of the YSR states is determined and compared with scanning tunneling spectroscopy (STS) measurements. The dimers are calculated in several geometric and magnetic configurations, while also the effect of the spin-orbit coupling (SOC) is investigated. We also study the effect of a relative angle between the atomic spins on the YSR states, where we find that for certain values a zero bias peak can exist in some dimer geometries.