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HL: Fachverband Halbleiterphysik

HL 44: 2D Materials: Electronic structure, excitations, etc. III (joint session O/HL/TT)

HL 44.3: Vortrag

Donnerstag, 12. März 2026, 15:30–15:45, HSZ/0204

From self-consistent DFT+DMFT to the two-particle level: Magnetic phase diagram of X:SiC(111) — •Lukas Bongardt^1,2, Niklas Enderlein³, Giorgio Sangiovanni⁴, Philipp Hansmann^3,5, and Henri Menke¹ — ¹Max Planck Computing and Data Facility — ²Technical University of Munich — ³FAU Erlangen — ⁴Universität Würzburg — ⁵University of Iceland, Reykjavík

Recently we have proposed a novel and versatile platform to realize a two-band Hubbard model with massless Dirac fermions and flat bands hosting strong correlations by depositing three different species of transition-metal adatoms on semiconductor surfaces (arXiv:2410.17165). Using state-of-the-art DFT+DMFT calculations we investigated the spectral properties of X:3C-SiC(111) (X = Ti, V, Cr). Due to the presence of well-defined Dirac cones and flat bands, indicating the potential for realizing topological and correlated phases, we identify transition-metal adatoms on SiC as a possible platform for exploring the interplay of correlations, topology, and magnetism in two-dimensional materials.

In this work, we explore the magnetic phase diagram of these systems within DMFT by calculating the generalized two-particle vertex and using it to solve the Bethe-Salpeter equation for the generalized susceptibility. This gives us a fully orbital-, spin-, and most importantly momentum-dependent susceptibility which carries the information about the ordering wave vector and is experimentally accessible through various techniques.

Keywords: Strongly Correlated Electrons; DMFT