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O: Fachverband Oberflächenphysik

O 71: 2D Materials: Electronic structure, excitations, etc. – Poster (joint session O/TT)

O 71.12: Poster

Mittwoch, 11. März 2026, 18:00–20:00, P2

Exploring Zincblende (100) Semiconductor Surfaces as Platforms for Correlated Adatom Lattices — •Olga Kashirina, Niklas Enderlein, and Philipp Hansmann — Friedrich-Alexander-Universität Erlangen-Nürnberg

Adatom lattices on (111) surfaces of zincblende structured semiconductors have proven to be versatile, experimentally realizable platforms for hosting strong electronic correlations and associated emergent behavior near the Fermi energy (see [1] and references therein). Our recent study [2] reveals transition metals adatom lattices on 3C-SiC(111) surfaces to be intriguing candidates for strongly correlated material design. In the present contribution we continue this strategy by leaving the hexagonal/triangular lattices. Specifically, we explore the (100) surfaces of silicon, diamond, and 3C-SiC which in the infinite bulk exhibit a fourfold rotoinversion symmetry enabling square/rectangular adatom lattices. As the (100) surface is prone to dimerization, an additional complication arises from dimer-derived electronic states inside the bulk gap, which - depending on the chosen adatom and substrate combination - may or may not hybridize with the adatom states. In this context, the adatom coverage is another crucial parameter as it directly influences the nature of surface reconstructions and dimerizations. To assess the structural stability of our candidate systems, we employ phonon calculations based on density-functional perturbation theory as well as molecular-dynamics simulations. [1 ] X. Cao, et al., PRB 97, 155145 (2018). [2 ] H. Menke, N. Enderlein, et al., arXiv:2410.17165.

Keywords: Adatoms; Hubbard model; Strong electronic correllations; Molecular dynamics