Engineering correlated Dirac fermions and flat bands on SiC with transition-metal adatom lattices

Fuente: arXiv
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Autores principales: Menke, Henri, Enderlein, Niklas, Tseng, Yi-Ting, Bockstedte, Michel, Maultzsch, Janina, Sangiovanni, Giorgio, Hansmann, Philipp
Formato: Preprint
Publicado: 2024
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author Menke, Henri
Enderlein, Niklas
Tseng, Yi-Ting
Bockstedte, Michel
Maultzsch, Janina
Sangiovanni, Giorgio
Hansmann, Philipp
author_facet Menke, Henri
Enderlein, Niklas
Tseng, Yi-Ting
Bockstedte, Michel
Maultzsch, Janina
Sangiovanni, Giorgio
Hansmann, Philipp
contents We propose three transition-metal adatom systems on 3C-SiC(111) surfaces as a versatile platform to realize massless Dirac fermions and flat bands with strong electronic correlations. Using density functional theory combined with the constrained random phase approximation and dynamical mean-field theory, we investigate the electronic properties of Ti, V, and Cr adatoms. The triangular surface lattices exhibit narrow bandwidths and effective two-band Hubbard models near the Fermi level, originating from partially filled, localized d-orbitals of the adatoms. Our study reveals a materials trend from a flat band Fermi liquid (Cr) via a paramagnetic Mott insulator with large local moments (V) to a Mott insulator on the verge to a heavy Dirac semimetal (Ti) showcasing the diverse nature of these strongly correlated systems. Specifically, the flat bands in the Cr and the well-defined Dirac cones in the strained metallic~Ti lattice indicate high potential for realizing topological and correlated phases.
format Preprint
id arxiv_https___arxiv_org_abs_2410_17165
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Engineering correlated Dirac fermions and flat bands on SiC with transition-metal adatom lattices
Menke, Henri
Enderlein, Niklas
Tseng, Yi-Ting
Bockstedte, Michel
Maultzsch, Janina
Sangiovanni, Giorgio
Hansmann, Philipp
Strongly Correlated Electrons
We propose three transition-metal adatom systems on 3C-SiC(111) surfaces as a versatile platform to realize massless Dirac fermions and flat bands with strong electronic correlations. Using density functional theory combined with the constrained random phase approximation and dynamical mean-field theory, we investigate the electronic properties of Ti, V, and Cr adatoms. The triangular surface lattices exhibit narrow bandwidths and effective two-band Hubbard models near the Fermi level, originating from partially filled, localized d-orbitals of the adatoms. Our study reveals a materials trend from a flat band Fermi liquid (Cr) via a paramagnetic Mott insulator with large local moments (V) to a Mott insulator on the verge to a heavy Dirac semimetal (Ti) showcasing the diverse nature of these strongly correlated systems. Specifically, the flat bands in the Cr and the well-defined Dirac cones in the strained metallic~Ti lattice indicate high potential for realizing topological and correlated phases.
title Engineering correlated Dirac fermions and flat bands on SiC with transition-metal adatom lattices
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2410.17165