Publications (27)
Intercalant-induced Kekule ordering and gap opening in quasi-free-standing graphene
Huu Thoai Ngo, Zamin Mamiyev, Niklas Witt +2
We present a comprehensive investigation of the structural and electronic properties of Sn intercalated buffer layers on SiC(0001) using low-temperature scanning tunneling microsco…
Inelastic tunneling into multipolaronic bound states in single-layer MoS
Camiel van Efferen, Laura Pätzold, Tfyeche Y. Tounsi +12
Polarons are quasiparticles that arise from the interaction of electrons or holes with lattice vibrations. Though polarons are well-studied across multiple disciplines, experimenta…
Phonon Self-Energy Corrections: To Screen, or Not to Screen
Jan Berges, Nina Girotto, Tim Wehling +2
First-principles calculations of phonons are often based on the adiabatic approximation and on Brillouin-zone samplings that might not always be sufficient to capture the subtletie…
A full gap above the Fermi level: the charge density wave of monolayer VS2
Camiel van Efferen, Jan Berges, Joshua Hall +15
In the standard model of charge density wave (CDW) transitions, the displacement along a single phonon mode lowers the total electronic energy by creating a gap at the Fermi level,…
Bandwidth renormalization due to the intersite Coulomb interaction
Yann in 't Veld, Malte Schüler, Tim Wehling +2
The theory of correlated electrons is currently moving beyond the paradigmatic Hubbard , towards the investigation of intersite Coulomb interactions. Recent investigations have…
Twisted Bilayer Graphene Lifetimes At Integer Fillings: An Analytic Result
Haoyu Hu, Yuelin Shao, Lorenzo Crippa +5
Twisted bilayer graphene near integer fillings hosts correlated single-particle excitations whose dispersion and linewidth are increasingly accessible experimentally. We study thes…
Ultrafast Electronic Structure Engineering in 1-TaS: Role of Doping and Amplitude Mode Dynamics
J. Jayabalan, Jiyu Chen, Laura Pätzold +12
In strongly correlated transition metal dichalcogenides, an intricate interplay of polaronic distortions, stacking arrangement, and electronic correlations determines the nature of…
Charge doping induced phase transitions in hydrogenated and fluorinated graphene
Tim Wehling, Bernhard Grundkötter-Stock, Bálint Aradi +2
We show that charge doping can induce transitions between three distinct adsorbate phases in hydrogenated and fluorinated graphene. By combining ab initio, approximate density func…
Moiré-induced symmetry breaking of charge order in van der Waals heterostructures
Sandra Sajan, Laura Pätzold, Tarushi Agarwal +10
Layered materials that stack different lattice symmetries are rare in nature. Misfit layered chalcogenides, which combine square and hexagonal lattices of rocksalt monochalcogenide…
Heterogeneous Ta-dichalcogenide bilayer: heavy fermions or doped Mott physics?
Lorenzo Crippa, Hyeonhu Bae, Paul Wunderlich +5
Controlling and understanding electron correlations in quantum matter is one of the most challenging tasks in materials engineering. In the past years a plethora of new puzzling co…
Resolving Intervalley Gaps and Many-Body Resonances in Moiré Superconductor
Hyunjin Kim, Gautam Rai, Lorenzo Crippa +15
Magic-angle twisted multilayer graphene stands out as a highly tunable class of moiré materials that exhibit strong electronic correlations and robust superconductivity. However,…
Interplay between many-body correlations, strain and lattice relaxation in twisted bilayer graphene
Lorenzo Crippa, Gautam Rai, Dumitru CÄlugÄru +6
In twisted bilayer graphene, a unified understanding of the mechanisms governing temperature-dependent electronic spectra and thermodynamic properties remains controversial despite…
Effective enhancement of the electron-phonon coupling driven by nonperturbative electronic density fluctuations
Emin Moghadas, Matthias Reitner, Tim Wehling +3
We present a dynamical mean-field study of the nonperturbative electronic mechanisms, which may lead to significant enhancements of the electron-phonon coupling in correlated elect…
Distinct lattice and charge excitations in AV3Sb5 kagome superconductors
Dongjin Oh, Stefan Enzner, Lennart Klebl +12
The kagome superconductor family AV3Sb5 (A=Cs, Rb, K) provides a rich platform for exploring diverse electronic symmetry breaking phenomena, including superconductivity and various…
Dynamical correlations and order in magic-angle twisted bilayer graphene
Gautam Rai, Lorenzo Crippa, Dumitru CÄlugÄru +8
In magic angle twisted bilayer graphene, transport, thermodynamic and spectroscopic experiments pinpoint at a competition between distinct low-energy states with and without electr…
Efficient fluctuation exchange approach to low-temperature spin fluctuations and superconductivity: from the Hubbard model to NaCoOHO
Niklas Witt, Erik G. C. P. van Loon, Takuya Nomoto +2
Superconductivity arises mostly at energy and temperature scales that are much smaller than the typical bare electronic energies. Since the computational effort of diagrammatic man…
Turbulent hydrodynamics in strongly correlated Kagome metals
Domenico Di Sante, Johanna Erdmenger, Martin Greiter +6
A current challenge in condensed matter physics is the realization of strongly correlated, viscous electron fluids. These fluids are not amenable to the perturbative methods of Fer…
Electronic Structure of FeTe bulk crystals and epitaxial FeTe thin films on BiTe
Fabian Arnold, Jonas Warmuth, Matteo Michiardi +12
The electronic structure of thin films of FeTe grown on BiTe is investigated using angle-resolved photoemission spectroscopy, scanning tunneling microscopy and first princi…
Persistence of charge ordering instability to Coulomb engineering in the excitonic insulator candidate TiSe
Sebastian Buchberger, Yann in 't Veld, Akhil Rajan +11
TiSe has long been considered one of the best candidate materials to host the elusive excitonic insulator (EI) phase. However, a finite coupling to the lattice can generically…
Dynamics and Resilience of the Charge Density Wave in a bilayer kagome metal
Manuel Tuniz, Armando Consiglio, Denny Puntel +22
Long-range electronic order descending from a metallic parent state constitutes a rich playground to study the intricate interplay of structural and electronic degrees of freedom.…
Electronic correlations and universal long-range scaling in kagome metals
Domenico Di Sante, Bongjae Kim, Werner Hanke +4
We investigate the real-space profile of effective Coulomb interactions in correlated kagome materials. By particularizing to KVSb, CoSnS, FeSn, and NiIn, w…
Downfolding the Su-Schrieffer-Heeger model
Arne Schobert, Jan Berges, Tim Wehling +1
Charge-density waves are responsible for symmetry-breaking displacements of atoms and concomitant changes in the electronic structure. Linear response theories, in particular densi…
Unconventional charge-density-wave gap in monolayer NbS
Timo Knispel, Jan Berges, Arne Schobert +5
Using scanning tunneling microscopy and spectroscopy, for a monolayer of transition metal dichalcogenide H-NbS grown by molecular beam epitaxy on graphene, we provide unambiguo…
Proximity Enhanced Quantum Spin Hall State in Graphene
Liangzhi Kou, Feiming Hu, Binghai Yan +4
Graphene is the first model system of two-dimensional topological insulator (TI), also known as quantum spin Hall (QSH) insulator. The QSH effect in graphene, however, has eluded d…
Manifestation of nonlocal electron-electron interaction in graphene
Søren Ulstrup, Malte Schüler, Marco Bianchi +5
Graphene is an ideal platform to study many-body effects due to its semimetallic character and the possibility to dope it over a wide range. Here we study the width of graphene's o…
Femtosecond concerted rotation of molecules on a 2D material interface
Kiana Baumgärtner, Misa Nozaki, Marvin Reuner +20
Interfaces between molecules and 2D materials exhibit energy-driven functionalities, wherein charge transfer directs molecular motion. Unlike equilibrium systems, where molecular a…
Correlated electron behavior of metalorganic molecules: insights from density functional theory combined with many-body effects using exact diagonalization
Sumanta Bhandary, Malte Schüler, Patrik Thunström +5
A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply dens…