Deliverables Open Research Data Pilot (1) Open access Data management plan Publications Peer reviewed articles (41) Interlayer Excitons with Large Optical Amplitudes in Layered van der Waals Materials Author(s): Thorsten Deilmann, Kristian Sommer Thygesen Published in: Nano Letters, Issue 18/5, 2018, Page(s) 2984-2989, ISSN 1530-6984 Publisher: American Chemical Society DOI: 10.1021/acs.nanolett.8b00438 Edge effects on optically detected magnetic resonance of vacancy defects in hexagonal boron nitride Author(s): A. Sajid, Kristian S. Thygesen, Jeffrey R. Reimers, Michael J. Ford Published in: Communications Physics, Issue 3/1, 2020, ISSN 2399-3650 Publisher: Nature Research DOI: 10.1038/s42005-020-00416-z Computational Discovery and Experimental Demonstration of Boron Phosphide Ultraviolet Nanoresonators Author(s): Mark K. Svendsen; Hiroshi Sugimoto; Artyom Assadillayev; Daisuke Shima; Minoru Fujii; Kristian S. Thygesen; Søren Raza Published in: Advanced Optical Materials, 2022, ISSN 2195-1071 Publisher: Wiley DOI: 10.1002/adom.202200422 Atomic Simulation Recipes – A Python framework and library for automated workflows Author(s): Morten Niklas Gjerding; Thorbjørn Skovhus; Asbjørn Rasmussen; Fabian Bertoldo; Ask Hjorth Larsen; Jens Jørgen Mortensen; Kristian Sommer Thygesen Published in: Computational Materials Science, 2021, ISSN 0927-0256 Publisher: Elsevier BV DOI: 10.1016/j.commatsci.2021.110731 Engineering Atomically Sharp Potential Steps and Band Alignment at Solid Interfaces using 2D Janus Layers Author(s): Anders C. Riis-Jensen, Simone Manti, Kristian S. Thygesen Published in: The Journal of Physical Chemistry C, Issue 124/17, 2020, Page(s) 9572-9580, ISSN 1932-7447 Publisher: American Chemical Society DOI: 10.1021/acs.jpcc.0c01286 V N C B defect as source of single photon emission from hexagonal boron nitride Author(s): A Sajid, Kristian S Thygesen Published in: 2D Materials, Issue 7/3, 2020, Page(s) 031007, ISSN 2053-1583 Publisher: Institute of Physics DOI: 10.1088/2053-1583/ab8f61 Spin coherence times of point defects in two-dimensional materials from first principles Author(s): SAJID ALI; Kristian Sommer Thygesen Published in: Physical Review B, Issue 106, 2022, Page(s) 104108, ISSN 2469-9969 Publisher: American Physical Society (APS) DOI: 10.1103/physrevb.106.104108 A library of ab initio Raman spectra for automated identification of 2D materials Author(s): Alireza Taghizadeh, Ulrik Leffers, Thomas G. Pedersen, Kristian S. Thygesen Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723 Publisher: Nature Publishing Group DOI: 10.1038/s41467-020-16529-6 Momentum-Dependent Oscillator Strength Crossover of Excitons and Plasmons in Two-Dimensional PtSe<sub>2</sub> Author(s): Jinhua Hong; Mark Kamper Svendsen; Masanori Koshino; Thomas Pichler; Hua Xu; Kazu Suenaga; Kristian S. Thygesen Published in: ACS Nano, 2022, ISSN 1936-0851 Publisher: American Chemical Society DOI: 10.1021/acsnano.2c03322 Quantum point defects in 2D materials - the QPOD database Author(s): Fabian Bertoldo; Sajid Ali; Simone Manti; Kristian S. Thygesen Published in: Computational Materials, 2022, ISSN 2057-3960 Publisher: Springer Nature DOI: 10.1038/s41524-022-00730-w A facile strategy for the growth of high-quality tungsten disulfide crystals mediated by oxygen-deficient oxide precursors Author(s): Denys I. Miakota; Raymond R. Unocic; Fabian Bertoldo; Ganesh Ghimire; Sara Engberg; David Geohegan; Kristian S. Thygesen; Stela Canulescu Published in: Nanoscale, 2022, ISSN 2040-3372 Publisher: Royal Chemical Society DOI: 10.1039/d2nr01863b Towards fully automated GW band structure calculations: What we can learn from 60.000 self-energy evaluations Author(s): Asbjørn Rasmussen; Thorsten Deilmann; Kristian Sommer Thygesen Published in: npj Computational Materials, 2021, ISSN 2057-3960 Publisher: Springer Nature DOI: 10.1038/s41524-020-00480-7 Discovering two-dimensional topological insulators from high-throughput computations Author(s): Thomas Olsen, Erik Andersen, Takuya Okugawa, Daniele Torelli, Thorsten Deilmann, Kristian S. Thygesen Published in: Physical Review Materials, Issue 3/2, 2019, ISSN 2475-9953 Publisher: Americal Physical Society DOI: 10.1103/physrevmaterials.3.024005 Anisotropic properties of monolayer 2D materials: An overview from the C2DB database Author(s): Luca Vannucci, Urko Petralanda, Asbjørn Rasmussen, Thomas Olsen, Kristian S. Thygesen Published in: Journal of Applied Physics, Issue 128/10, 2020, Page(s) 105101, ISSN 0021-8979 Publisher: American Institute of Physics DOI: 10.1063/5.0021237 High oscillator strength interlayer excitons in two-dimensional heterostructures for mid-infrared photodetection Author(s): Steven Lukman, Lu Ding, Lei Xu, Ye Tao, Anders C. Riis-Jensen, Gang Zhang, Qing Yang Steve Wu, Ming Yang, Sheng Luo, Chuanghan Hsu, Liangzi Yao, Gengchiau Liang, Hsin Lin, Yong-Wei Zhang, Kristian S. Thygesen, Qi Jie Wang, Yuanping Feng, Jinghua Teng Published in: Nature Nanotechnology, Issue 15/8, 2020, Page(s) 675-682, ISSN 1748-3387 Publisher: Nature Publishing Group DOI: 10.1038/s41565-020-0717-2 Data-driven discovery of novel 2D materials by deep generative models Author(s): Peder Lyngby; Kristian Sommer Thygesen Published in: Computational Materials, Issue 8, 2022, Page(s) 232, ISSN 2057-3960 Publisher: Springer Nature DOI: 10.48550/arxiv.2206.12159 Enhancing and Controlling Plasmons in Janus MoSSe–Graphene Based van der Waals Heterostructures Author(s): L. S. R. Cavalcante, M. N. Gjerding, Andrey Chaves, K. S. Thygesen Published in: The Journal of Physical Chemistry C, Issue 123/26, 2019, Page(s) 16373-16379, ISSN 1932-7447 Publisher: American Chemical Society DOI: 10.1021/acs.jpcc.9b04000 Unraveling the not-so-large trion binding energy in monolayer black phosphorus Author(s): Thorsten Deilmann, Kristian Sommer Thygesen Published in: 2D Materials, Issue 5/4, 2018, Page(s) 041007, ISSN 2053-1583 Publisher: Institute of Physics DOI: 10.1088/2053-1583/aadc28 Efficient Ab Initio Modeling of Dielectric Screening in 2D van der Waals Materials: Including Phonons, Substrates, and Doping Author(s): M. N. Gjerding, L. S. R. Cavalcante, Andrey Chaves, K. S. Thygesen Published in: The Journal of Physical Chemistry C, 2020, ISSN 1932-7447 Publisher: American Chemical Society DOI: 10.1021/acs.jpcc.0c01635 Combining density functional theory with macroscopic QED for quantum light-matter interactions in 2D materials Author(s): Mark Kamper Svendsen; Yaniv Kurman; Peter Schmidt; Frank H. L. Koppens; Frank H. L. Koppens; Ido Kaminer; Kristian Sommer Thygesen Published in: Nature Communications, Issue 18, 2021, ISSN 2041-1723 Publisher: Nature Publishing Group DOI: 10.1038/s41467-021-23012-3 Nano-imaging of intersubband transitions in van der Waals quantum wells Author(s): Peter Schmidt, Fabien Vialla, Simone Latini, Mathieu Massicotte, Klaas-Jan Tielrooij, Stefan Mastel, Gabriele Navickaite, Mark Danovich, David A. Ruiz-Tijerina, Celal Yelgel, Vladimir Fal’ko, Kristian S. Thygesen, Rainer Hillenbrand, Frank H. L. Koppens Published in: Nature Nanotechnology, Issue 13/11, 2018, Page(s) 1035-1041, ISSN 1748-3387 Publisher: Nature Publishing Group DOI: 10.1038/s41565-018-0233-9 Intrinsic Defects in MoS2 Grown by Pulsed Laser Deposition: From Monolayers to Bilayers. Author(s): Fabian Bertoldo; Raymond R. Unocic; Yu-Chuan Lin; Xiahan Sang; Alexander A. Puretzky; Yiling Yu; Denys Igorevich Miakota; Christopher M. Rouleau; Jørgen Schou; Kristian Sommer Thygesen; David B. Geohegan; Stela Canulescu Published in: ACS Nano, 2021, ISSN 1936-086X Publisher: American Chemical Society DOI: 10.1021/acsnano.0c08835 Anomalous exciton Rydberg series in two-dimensional semiconductors on high- κ dielectric substrates Author(s): Anders C. Riis-Jensen; Morten Niklas Gjerding; Saverio Russo; Kristian Sommer Thygesen Published in: Physical Review B, 2020, ISSN 2469-9969 Publisher: APS DOI: 10.1103/physrevb.102.201402 Structural and chemical mechanisms governing stability of inorganic Janus nanotubes Author(s): Felix T. Bölle; August Edwards Guldberg Mikkelsen; Kristian Sommer Thygesen; Tejs Vegge; Ivano E. Castelli Published in: npj Computational Materials, 2021, ISSN 2057-3960 Publisher: Nature Publishing Group DOI: 10.1038/s41524-021-00505-9 Two-Dimensional Materials with Giant Optical Nonlinearities near the Theoretical Upper Limit Author(s): Alireza Taghizadeh; Kristian Sommer Thygesen; Thomas Garm Pedersen Published in: ACS Nano, 2021, ISSN 1936-086X Publisher: American Chemical Society DOI: 10.1021/acsnano.1c00344 Electrically controlled dielectric band gap engineering in a two-dimensional semiconductor Author(s): Anders C. Riis-Jensen, Jiong Lu, Kristian S. Thygesen Published in: Physical Review B, Issue 101/12, 2020, ISSN 2469-9950 Publisher: American Physical Society DOI: 10.1103/physrevb.101.121110 Recent progress of the computational 2D materials database (C2DB) Author(s): Morten Niklas Gjerding; Alireza Taghizadeh; Alireza Taghizadeh; Asbjørn Rasmussen; Sajid Ali; Fabian Bertoldo; Thorsten Deilmann; Nikolaj Rørbæk Knøsgaard; Mads Kruse; Ask Hjorth Larsen; Simone Manti; Thomas Garm Pedersen; Urko Petralanda; Thorbjørn Skovhus; Mark Kamper Svendsen; Jens Jørgen Mortensen; Thomas Olsen; Kristian Sommer Thygesen Published in: 2D Materials, 2021, ISSN 2053-1583 Publisher: Institute of Physics DOI: 10.1088/2053-1583/ac1059 Conductance of quantum spin Hall edge states from first principles: The critical role of magnetic impurities and inter-edge scattering Author(s): Luca Vannucci, Thomas Olsen, Kristian S. Thygesen Published in: Physical Review B, Issue 101/15, 2020, ISSN 2469-9950 Publisher: American Physical Society DOI: 10.1103/PhysRevB.101.155404 Indirect band gap semiconductors for thin-film photovoltaics: High-throughput calculation of phonon-assisted absorption Author(s): Jiban Kangsabanik; Mark Kamper Svendsen; Alireza Taghizadeh; Andrea Crovetto; Kristian S. Thygesen Published in: Journal of American Chemical Society (JACS), 2022, ISSN 0002-7863 Publisher: American Chemical Society DOI: 10.1021/jacs.2c07567 The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals Author(s): Sten Haastrup, Mikkel Strange, Mohnish Pandey, Thorsten Deilmann, Per S Schmidt, Nicki F Hinsche, Morten N Gjerding, Daniele Torelli, Peter M Larsen, Anders C Riis-Jensen, Jakob Gath, Karsten W Jacobsen, Jens Jørgen Mortensen, Thomas Olsen, Kristian S Thygesen Published in: 2D Materials, Issue 5/4, 2018, Page(s) 042002, ISSN 2053-1583 Publisher: Institute of Physics DOI: 10.1088/2053-1583/aacfc1 Band structure of MoSTe Janus nanotubes Author(s): August Edwards Guldberg Mikkelsen; Felix T. Bölle; Kristian Sommer Thygesen; Tejs Vegge; Ivano E. Castelli Published in: Physical Review Materials, 2021, ISSN 2475-9953 Publisher: American Physical Society DOI: 10.1103/physrevmaterials.5.014002 Classifying the Electronic and Optical Properties of Janus Monolayers Author(s): Anders C. Riis-Jensen, Thorsten Deilmann, Thomas Olsen, Kristian S. Thygesen Published in: ACS Nano, Issue 13/11, 2019, Page(s) 13354-13364, ISSN 1936-0851 Publisher: American Chemical Society DOI: 10.1021/acsnano.9b06698 High throughput computational screening for 2D ferromagnetic materials: the critical role of anisotropy and local correlations Author(s): Daniele Torelli, Kristian S Thygesen, Thomas Olsen Published in: 2D Materials, Issue 6/4, 2019, Page(s) 045018, ISSN 2053-1583 Publisher: Institute of Physics DOI: 10.1088/2053-1583/ab2c43 Finite-momentum exciton landscape in mono- and bilayer transition metal dichalcogenides Author(s): Thorsten Deilmann, Kristian Sommer Thygesen Published in: 2D Materials, Issue 6/3, 2019, Page(s) 035003, ISSN 2053-1583 Publisher: Institute of Physics, IOP Publishing DOI: 10.1088/2053-1583/ab0e1d Efficient Charge Separation in 2D Janus van der Waals Structures with Built-in Electric Fields and Intrinsic p–n Doping Author(s): Anders C. Riis-Jensen, Mohnish Pandey, Kristian S. Thygesen Published in: The Journal of Physical Chemistry C, Issue 122/43, 2018, Page(s) 24520-24526, ISSN 1932-7447 Publisher: American Chemical Society DOI: 10.1021/acs.jpcc.8b05792 Important role of screening the electron-hole exchange interaction for the optical properties of molecules near metal surfaces Author(s): Thorsten Deilmann, Kristian Sommer Thygesen Published in: Physical Review B, Issue 99/4, 2019, ISSN 2469-9950 Publisher: American Physical Society DOI: 10.1103/physrevb.99.045133 Spread-balanced Wannier functions: Robust and automatable orbital localization Author(s): Pietro F. Fontana; Ask Hjorth Larsen; Thomas Olsen; Kristian Sommer Thygesen Published in: Physical Review Materials, 2021, ISSN 2475-9953 Publisher: APS DOI: 10.1103/physrevb.104.125140 Stacked Janus Device Concepts: Abrupt pn-Junctions and Cross-Plane Channels Author(s): Mattias Palsgaard, Tue Gunst, Troels Markussen, Kristian Sommer Thygesen, Mads Brandbyge Published in: Nano Letters, Issue 18/11, 2018, Page(s) 7275-7281, ISSN 1530-6984 Publisher: American Chemical Society DOI: 10.1021/acs.nanolett.8b03474 Computational exfoliation of atomically thin one-dimensional materials with application to Majorana bound states Author(s): Hadeel Moustafa; Peter Mahler Larsen; Morten N. Gjerding; Jens Jørgen Mortensen; Kristian S. Thygesen; Karsten W. Jacobsen Published in: Physical Review Materials, 2022, ISSN 2475-9953 Publisher: Americal Physical Society DOI: 10.1103/physrevmaterials.6.064202 WSe<sub>2</sub> as Transparent Top Gate for Infrared Near-Field Microscopy Author(s): Niels C. H. Hesp; Mark Kamper Svendsen; Kenji Watanabe; Takashi Taniguchi; Kristian S. Thygesen; Iacopo Torre; Frank H. L. Koppens Published in: Nano Letters, 2022, ISSN 1530-6984 Publisher: American Chemical Society DOI: 10.1021/acs.nanolett.2c01658 Engineering covalently bonded 2D layered materials by self-intercalation Author(s): Xiaoxu Zhao, Peng Song, Chengcai Wang, Anders C. Riis-Jensen, Wei Fu, Ya Deng, Dongyang Wan, Lixing Kang, Shoucong Ning, Jiadong Dan, T. Venkatesan, Zheng Liu, Wu Zhou, Kristian S. Thygesen, Xin Luo, Stephen J. Pennycook, Kian Ping Loh Published in: Nature, Issue 581/7807, 2020, Page(s) 171-177, ISSN 0028-0836 Publisher: Nature Publishing Group DOI: 10.1038/s41586-020-2241-9 Searching for OpenAIRE data... There was an error trying to search data from OpenAIRE No results available
