Publikationen

2023

• P. Steeger, J.-H. Graalmann, R. Schmidt, I. Kupenko, C. Sanchez-Valle, P. Marauhn, T. Deilmann, S. Michaelis de Vasconcellos, M. Rohlfing, and R. Bratschitsch
  Pressure Dependence of Intra- and Interlayer Exciton in 2H-MoS₂ Bilayers
  Nano Lett. 2023, xxxx, xxx, xxx-xxx
• T. Deilmann, M. Rohlfing, and K.S. Thygesen
  Optical excitations in 2D semiconductors
  Electron. Struct. 5, 033002 (2023)
• V. Jindal. T. Deilmann, and S. Ghosh
  Unraveling the excitonic states in bulk 2H-MoS₂ via their giant Stark shift
  Phys. Rev. B 107, L241201
• J. Tölle, T. Deilmann, M. Rohlfing, and J. Neugebauer
  Correction to "Subsystem-Based GW/Bethe-Salpeter Equation"
  J. Chem. Theory Comput. 19, 2699 (2023)
• J. Klein, B. Pingault, M. Florian, M.-C. Heißenbüttel, A. Steinhoff, Z. Song, K. Torres, F. Dirnberger, J.B. Curtis, M. Weile, A. Penn, T. Deilmann, R. Dana, R. Bushati, J. Quan, J. Luxa, Z. Sofer, A. Alù, V.M. Menon, U. Wurstbauer, M. Rohlfing, P. Narang, M. Lončar, and F.M. Ross
  The Bulk van der Waals Layered Magnet CrSBr is a Quasi-1D Material
  ACS Nano 2023, 17, 6, 5316-5328
• T. Deilmann
  Optische Eigenschaften von 2D-Materialien
  Bunsen-Magazin, Ausgabe 2, 52-54 (2023)

2022

• A. Kirchhoff, T. Deilmann, P. Krüger, and M. Rohlfing
  Electronic and optical properties of a hexagonal boron nitride monolayer in its pristine form and with point defects from first principles
  Phys. Rev. B 106, 045118 (2022)
• I. Niehues, T. Deilmann, J. Kutrowska-Girzycka, A. Taghizadeh, L. Bryja, U. Wurstbauer, R. Bratschitsch, and J. Jadczak
  Uniaxial strain tuning of Raman spectra of a ReS₂ monolayer
  Phys. Rev. B. 105, 205432 (2022)

2021

• H. Osthues, C. Schwermann, J.A. Preuß, T. Deilmann, R. Bratschitsch, M. Rohlfing, and N.L. Doltsinis
  Covalent photofunctionalization and electronic repair of 2H-MoS₂ via nitrogen incorporation
  Phys. Chem. Chem. Phys. 23, 18517 (2021)
• M.N. Gjerding, A. Taghizadeh, A. Rasmussen, S. Ali, F. Bertoldo, T. Deilmann, N. Knøsgaard, M. Kruse, A.H. Larsen, S. Manti, T.G. Pedersen, U. Petralanda, T. Skovhus, M.K. Svendsen, J.J. Mortensen, T. Olsen, and K.S. Thygesen
  Recent Progress of the Computational 2D Materials Database (C2DB)
  2D Mater. 8, 044002 (2021)
• N. Peimyoo, T. Deilmann, F. Withers, J. Escolar, D. Nutting, T. Taniguchi, K. Watanabe, A. Taghizadeh, M.F. Craciun, K.S. Thygesen, and S. Russo
  Electrical tuning of optically active interlayer excitons in bilayer MoS₂
  Nature Nanotechnology 16, 888-893 (2021)
• M.-C. Heißenbüttel, T. Deilmann, P. Krüger, and M. Rohlfing
  Valley-Dependent Interlayer Excitons in Magnetic WSe₂/CrI₃
  Nano Lett. 21, 5173-5178 (2021)
• J. Tölle, T. Deilmann, M. Rohlfing, and J. Neugebauer
  Subsystem-Based GW/Bethe-Salpeter Equation
  J. Chem. Theory Comput. 17, 2186 (2021)
• A. Rasmussen, T. Deilmann, K.S. Thygesen
  Towards fully automatized GW band structure calculations: What can we learn from 60.000 self-energy evaluations
  npj Computational Materials 7, Article number: 22 (2021)

2020

• V. Jindal, D. Jana, T. Deilmann, and S. Ghosh
  Interlayer and excited-state exciton transitions in bulk 2H-MoS₂
  Phys. Rev. B 102, 235204 (2020)
• I. Niehues, P. Marauhn, T. Deilmann, D. Wigger, R. Schmidt, A. Arora, S. Michaelis de Vasconcellos, Michael Rohlfing and R. Bratschitsch
  Strain tuning of the Stokes shift in atomically thin semiconductors
  Nanoscale 12, 20786 (2020)
• A. Arora, N.K. Wessling, T. Deilmann, T. Reichenauer, P. Steeger, P. Kossacki, M. Potemski, S. Michaelis de Vasconcellos, M. Rohlfing, and R. Bratschitsch
  Dark trions govern the temperature-dependent optical absorption and emission of doped atomically thin semiconductors
  Phys. Rev. B 101, 241413(R) (2020)
• T. Deilmann, P. Krüger, and M. Rohlfing
  Ab initio studies of exciton g factors: Monolayer transition metal dichalcogenides in magnetic fields
  Phys. Rev. Lett. 124, 226402 (2020)
• T. Deilmann, M. Rohlfing, und U. Wurstbauer
  Light-matter interaction in van der Waals heterostructures
  J. Phys.: Condens. Matter 32, 333002 (2020)
• F. Eickhoff, E. Kolodzeiski, T. Esat, N. Fournier, C. Wagner, T. Deilmann, R. Temirov, M. Rohlfing, F.S. Tautz, and F.B. Anders
  Inelastic electron tunneling spectroscopy for probing strongly correlated many-body systems by scanning tunneling microscopy
  Phys. Rev. B 101, 125405 (2020)
• T. Deilmann
  Valley selectivity induced by magnetic adsorbates: Triplet oxygen on monolayer MoS₂
  Phys. Rev. B 101, 085130 (2020)

2019

• S. Haastrup, M. Strange, M. Pandey, T. Deilmann, P.S. Schmidt, N.F. Hinsche, M.N. Gjerding, D. Torelli, P.M. Larsen, A.C. Riis-Jensen
  Reply to comment on 'The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals'
  2D Mater. 6, 048001 (2019)
• A. Arora, T. Deilmann, T. Reichenauer, J. Kern, S. Michaelis de Vasconcellos, M. Rohlfing, and R. Bratschitsch
  Excited-State Trions in Monolayer WS₂
  Phys. Rev. Lett. 123, 167401 (2019)
• A.C. Riis-Jensen, T. Deilmann, T. Olsen and K.S. Thygesen
  Classifying the Electronic and Optical Properties of Janus Monolayers
  ACS Nano 2019, 13, 13354-13364
• T. Deilmann and K.S. Thygesen
  Finite-momentum exciton landscape in mono- and bilayer transition metal dichalcogenides
  2D Mater. 6, 035003 (2019)
• T. Olsen, E. Andersen, T. Okugawa, D. Torelli, T. Deilmann, and K.S. Thygesen
  Discovering two-dimensional topological insulators from high-throughput computations
  Phys. Rev. Materials 3, 024005 (2019)
• T. Deilmann and K.S. Thygesen
  Important role of screening the electron-hole exchange interaction for the optical properties of molecules near metal surfaces
  Phys. Rev. B 99, 045133 (2019)
• M.-C. Heissenbüttel, P. Marauhn, T. Deilmann, P. Krüger, and M. Rohlfing
  Nature of the excited states of layered systems and molecular excimers: Exciplex states and their dependence on structure
  Phys. Rev. B 99, 035425 (2019)

2018

• M. Drüppel, T. Deilmann, J. Noky, P. Marauhn, P. Krüger, and M. Rohlfing
  Electronic excitations in transition metal dichalcogenide monolayers from an LDA+GdW approach
  Phys. Rev. B 98, 155433 (2018)
• T. Deilmann
  Trions in bulk LiF and at the LiF(001) surface
  Phys. Rev. B 98, 165105 (2018)
• S. Haastrup, M. Strange, M. Pandey, T. Deilmann, P.S. Schmidt, N.F. Hinsche, M.N. Gjerding, D. Torelli, P.M. Larsen, A.C. Riis-Jensen, J. Gath, K.W. Jacobsen, J.J. Mortensen, T. Olsen, and K.S. Thygesen
  The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals
  2D Mater. 5, 042002 (2018)
• T. Deilmann and K.S. Thygesen
  Unraveling the not-so-large trion binding energy in monolayer black phosphorus
  2D Mater. 5, 041007 (2018)
• T. Deilmann and K.S. Thygesen
  Interlayer Excitons with Large Optical Amplitudes in Layered van der Waals Materials
  Nano Lett. 18, 2984 (2018)
• T. Deilmann and K.S. Thygesen
  Interlayer Trions in the MoS₂/WS₂ van der Waals Heterostructure
  Nano Lett. 18, 1460 (2018)
• V. Jindal, S. Bhuyan, T. Deilmann, and S. Ghosh
  Anomalous behavior of the excited state of the A exciton in bulk WS₂
  Phys. Rev. B 97, 045211 (2018)
• A. Arora, T. Deilmann, P. Marauhn, M. Drüppel, R. Schneider, M. R. Molas, D. Vaclavkova, S. Michaelis de Vasconcellos, M. Rohlfing, M. Potemski, and R. Bratschitsch
  Valley-contrasting optics of interlayer excitons in Mo- and W-based bulk transition metal dichalcogenides
  Nanoscale 10, 15571 (2018)

2017

• M. Drüppel, T. Deilmann, P. Krüger, and M. Rohlfing
  Diversity of trion states and substrate effects in the optical properties of an MoS₂ monolayer
  Nat. Comm. 8, 2117 (2017)
• T. Deilmann and K.S. Thygesen
  Dark excitations in monolayer transition metal dichalcogenides
  Phys. Rev. B 96, 201113 (2017)
• T. Deilmann and M. Rohlfing
  Huge Trionic Effects in Graphene Nanoribbons
  Nano Lett. 17, 6833 (2017)
• A. Arora, M. Drüppel, R. Schmidt, T. Deilmann, M.R. Molas, P. Marauhn, S. Michaelis de Vasconcellos, M. Potemski, M. Rohlfing, and R. Bratschitsch
  Interlayer excitons in a bulk van der Waals semiconductor
  Nat. Comm. 8, 639 (2017)
  [Publisher Correction]
• A. Arora, J. Noky, M. Drüppel, B. Jariwala, T. Deilmann, R. Schneider, R. Schmidt, O. Del Pozo-Zamudio, T. Stiehm, A. Bhattacharya, P. Krüger, S. Michaelis de Vasconcellos, M. Rohlfing, and R. Bratschitsch
  Highly Anisotropic in-Plane Excitons in Atomically Thin and Bulklike 1T'-ReSe₂
  Nano Lett. 17, 3202 (2017)
  [Addition/Correction]

2016

• M.F.B. Green, C. Wagner, P. Leinen, T. Deilmann, P. Krüger, M. Rohlfing, F.S. Tautz, and R. Temirov
  Scanning quantum dot microscopy: A quantitative method to measure local electrostatic potential near surfaces
  Jap. J. Appl. Phys. 55, 08NA04 (2016)
• R. Schmidt, I. Niehues, R. Schneider, M. Drüppel, T. Deilmann, M. Rohlfing, S. Michaelis de Vasconcellos, A. Castellanos-Gomez, and R. Bratschitsch
  Reversible uniaxial strain tuning in atomically thin WSe₂
  2D Mater. 3, 021011 (2016)
• T. Deilmann, M. Drüppel, and M. Rohlfing
  Three-particle correlation from a many-body perspective: Trions in a carbon nanotube
  Phys. Rev. Lett. 116, 196804 (2016)
• T. Esat, B. Lechtenberg, T. Deilmann, C. Wagner, P. Krüger, R. Temirov, M. Rohlfing, F.B. Anders, and F.S. Tautz
  A chemically driven quantum phase transition in a two-molecule Kondo system
  Nature Physics 12, 867 (2016)
  WWU News (April 2016): Auf der Suche nach magnetischen Eigenschaften von Molekülen

2015

• C. Wagner, M.F.B. Green, P. Leinen, T. Deilmann, P. Krüger, M. Rohlfing, R. Temirov, and F.S. Tautz
  Scanning Quantum Dot Microscopy
  Phys. Rev. Lett. 115, 026101 (2015)
• T. Esat, T. Deilmann, B. Lechtenberg, C. Wagner, P. Krüger, R. Temirov, F. Anders, M. Rohlfing, and F. Tautz
  Transfering spin into an extended π orbital of a large molecule
  Phys. Rev. B 91, 144415 (2015)

2014

• T. Deilmann, P. Krüger, M. Rohlfing, and D. Wegner
  Adsorption and STM imaging of tetracyanoethylene on Ag(001): An ab initio study
  Phys. Rev. B 89, 045405 (2014)