Regensburg 2019 – scientific programme

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O: Fachverband Oberflächenphysik

O 95: Semiconductor Substrates: Metallic Nanowires

O 95.7: Talk

Friday, April 5, 2019, 12:00–12:15, H14

Spin pairing versus spin chains at Si(hhk)-Au surfaces — •Christian Braun and Wolf Gero Schmidt — Lehrstuhl für Theoretische Materialphysik, Universität Paderborn, 33095 Paderborn

Surfaces involving single spin states are promising candidates for the realization of spin-based computation and storage. Both the Si(553)-Au and Si(557)-Au surface have been discussed to exhibit such unpaired spins for several years [1]. Density-functional theory is used to probe the spin structure of these surfaces. For Si(553)-Au a diamagnetic sp2 + p rehybridized structure, where the dangling bonds are either filled with two spin-paired electrons or are empty, is more favorable and in better agreement with experiment than the generally accepted spin-chain model. In contrast, the spin chains on Si(557)-Au seem rather stable against rehybridization. We discuss the mechanisms for this diverging behavior and predict methods to tailor the existence of single spin states on these surfaces. [2]

[1] S C Erwin, F J Himpsel, Nature Communications 5, 58 (2010)

[2] C Braun, U Gerstmann, W G Schmidt, Physical Review B 98, 121402 (2018)