activity
20152026
most citedThe Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals

1.2k citations · 2.6k across the 22 of their papers we have counts for

collaborators

23 papers

physics.optics2026

Probing temperature dependent non-radiative decay channels in CrSBr with nonlinear optics

Minjiang Dan, Till Weickhardt, Paul Herrmann +9

Among the recently discovered layered magnetic materials, the antiferromagnet CrSBr has attracted considerable interest thanks to its stability, quasi-one-dimensional crystal struc…

cond-mat.mes-hall2026

Impact of exciton-phonon and exciton-magnon interaction on transport in anisotropic 2D magnetic semiconductors

Daniel Erkensten, Katarzyna Sadecka, Marie-Christin Heißenbüttel +2

Two-dimensional magnetic semiconductors provide a unique platform for exploring the interplay between charge, lattice, spin, and light. The strong Coulomb interaction combined with…

cond-mat.mes-hall2026

Extreme Polarization of the Optical Gap and High-Energy Exciton Landscape in CrSBr

Sayantan Patra, Sourabh Jain, Bhumika Chauhan +8

We reveal a strongly anisotropic excitonic landscape in monolayer and bulk-like CrSBr using optical absorption spectroscopy and -Bethe-Salpeter equation ca…

cond-mat.mtrl-sci2026

Layer thickness dependent band gap of MBE grown single- to few-layer MoS

Maciej Bazarnik, Thorsten Deilmann, Marta Przychodnia +1

In light of the rise of transition metal dichalcogenides as 2D semiconductors for device applications, band engineering becomes very important from an application point of view. In…

cond-mat.mes-hall2026

Coulomb Interaction in Atomically Thin Semiconductors and Density-Independent Exciton-Scattering Processes

Henry Mittenzwey, Andreas Knorr, Thorsten Deilmann

In quantum-kinetic approaches to the dynamics of Coulomb-bound many-body correlations such as excitons, trions, biexcitons or higher-order correlations, a detailed knowledge of the…

cond-mat.mtrl-sci2025

Precise Twist Angle Determination in twisted WSe2 via Optical Moiré Phonons

Nicolai-Leonid Bathen, Thorsten Deilmann, Ana Senkić +7

Twisted bilayers of transition metal dichalcogenides (TMDC) form moiré superlattices resulting in moiré minibands in momentum space and hosting localized excitons in real space. Wh…

cond-mat.mes-hall2025

Optical Readout of Reconfigurable Layered Magnetic Domain Structure in CrSBr

Aleksandra Łopion, Pierre-Maurice Piel, Thomas Kliewer +9

The van der Waals magnetic semiconductor CrSBr combines multistable magnetic order with strong light--matter coupling, enabling optical access to a rich and reconfigurable layered…

cond-mat.mtrl-sci2025★ 74 cited

Roadmap for Photonics with 2D Materials

F. Javier García de Abajo, D. N. Basov, Frank H. L. Koppens +145

Triggered by the development of exfoliation and the identification of a wide range of extraordinary physical properties in self-standing films consisting of one or few atomic layer…

cond-mat.mes-hall2024★ 9 cited

Quadrupolar and dipolar excitons in symmetric trilayer heterostructures: Insights from first principles theory

Thorsten Deilmann, Kristian Sommer Thygesen

Excitons in van der Waals heterostructures come in many different forms. In bilayer structures, the electron and hole may be localized on the same layer or they may be separated fo…

cond-mat.mes-hall2024

Quadratic optical response of CrSBr controlled by spin-selective interlayer coupling

Marie-Christin Heißenbüttel, Pierre-Maurice Piel, Julian Klein +3

The optical properties of the layered magnet CrSBr are dominated by intralayer excitons: the antiferromagnetic order between the layers makes layer-to-layer charge hopping, and the…

cond-mat.mes-hall2023★ 19 cited

Pressure dependence of intra- and interlayer excitons in 2H-MoS bilayers

Paul Steeger, Jan-Hauke Graalmann, Robert Schmidt +7

The optical and electronic properties of multilayer transition metal dichalcogenides differ significantly from their monolayer counterparts due to interlayer interactions. The sepa…

cond-mat.mes-hall2022★ 165 cited

The bulk van der Waals layered magnet CrSBr is a quasi-1D material

Julian Klein, Benjamin Pingault, Matthias Florian +21

Correlated quantum phenomena in one-dimensional (1D) systems that exhibit competing electronic and magnetic order are of strong interest for studying fundamental interactions and e…

cond-mat.mtrl-sci2021★ 579 cited

Recent Progress of the Computational 2D Materials Database (C2DB)

M. N. Gjerding, A. Taghizadeh, A. Rasmussen +13

The C2DB is a highly curated open database organizing a wealth of computed properties for more than 4000 atomically thin two-dimensional (2D) materials. Here we report on new mater…

cond-mat.mtrl-sci2020★ 44 cited

Towards fully automatized GW band structure calculations: What we can learn from 60.000 self-energy evaluations

Asbjørn Rasmussen, Thorsten Deilmann, Kristian S. Thygesen

We analyze a data set comprising 370 GW band structures composed of 61716 quasiparticle (QP) energies of two-dimensional (2D) materials spanning 14 crystal structures and 52 elemen…

cond-mat.mes-hall2020★ 87 cited

Ab-initio studies of exciton factors: Monolayer transition metal dichalcogenides in magnetic fields

Thorsten Deilmann, Peter Krüger, Michael Rohlfing

The effect of a magnetic field on the optical absorption in semiconductors has been measured experimentally and modeled theoretically for various systems in previous decades. We pr…

cond-mat.mes-hall2020★ 30 cited

Light-matter interaction in van der Waals heterostructures

Thorsten Deilmann, Michael Rohlfing, Ursula Wurstbauer

Even if individual two-dimensional materials own various interesting and unexpected properties, the stacking of such layers leads to van der Waals solids which unite the characteri…

cond-mat.mes-hall2019★ 65 cited

Dark trions govern the temperature-dependent optical absorption and emission of doped atomically thin semiconductors

Ashish Arora, Nils Kolja Wessling, Thorsten Deilmann +7

We perform absorption and photoluminescence spectroscopy of trions in hBN-encapsulated WSe, WS, MoSe, and MoS monolayers, depending on temperature. The different tr…

cond-mat.mes-hall2019★ 19 cited

Inelastic electron tunneling spectroscopy for probing strongly correlated many-body systems by scanning tunneling microscopy

Fabian Eickhoff, Elena Kolodzeiski, Taner Esat +7

We present an extension of the tunneling theory for scanning tunneling microcopy (STM) to include different types of vibrational-electronic couplings responsible for inelastic cont…

cond-mat.mtrl-sci2018★ 93 cited

Discovering new two-dimensional topological insulators from computational screening

Thomas Olsen, Erik Andersen, Takuya Okugawa +3

We have performed a computational screening of topological two-dimensional (2D) materials from the Computational 2D Materials Database (C2DB) employing density functional theory. A…

cond-mat.mes-hall2018★ 1.2k cited

The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals

Sten Haastrup, Mikkel Strange, Mohnish Pandey +12

We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around…

cond-mat.mes-hall2016★ 61 cited

Three-particle correlation from a Many-Body Perspective: Trions in a Carbon Nanotube

Thorsten Deilmann, Matthias Drüppel, Michael Rohlfing

Trion states of three correlated particles (e.g., two electrons and one hole) are essential to understand the optical spectra of doped or gated nanostructures, like carbon nanotube…

cond-mat.mes-hall2016★ 14 cited

Adsorption and STM imaging of tetracyanoethylene on Ag(001): An ab-initio study

Thorsten Deilmann, Peter Krüger, Michael Rohlfing +1

We investigate the adsorption of a single tetracyanoethylene (TCNE) molecule on the silver (001) surface. Adsorption structures, electronic properties, and scanning tunneling micro…

cond-mat.mes-hall2015★ 100 cited

Scanning Quantum Dot Microscopy

Christian Wagner, Matthew F. B. Green, Phillipp Leinen +5

Interactions between atomic and molecular objects are to a large extent defined by the nanoscale electrostatic potentials which these objects produce. We introduce a scanning probe…