Controlling light-matter interactions by quantum designed 2D materials

Rezultaty

Data management plan

Publikacje

Interlayer Excitons with Large Optical Amplitudes in Layered van der Waals Materials

Autorzy: Thorsten Deilmann, Kristian Sommer Thygesen
Opublikowane w: Nano Letters, Numer 18/5, 2018, Strona(/y) 2984-2989, ISSN 1530-6984
Wydawca: American Chemical Society
DOI: 10.1021/acs.nanolett.8b00438

Edge effects on optically detected magnetic resonance of vacancy defects in hexagonal boron nitride

Autorzy: A. Sajid, Kristian S. Thygesen, Jeffrey R. Reimers, Michael J. Ford
Opublikowane w: Communications Physics, Numer 3/1, 2020, ISSN 2399-3650
Wydawca: Nature Research
DOI: 10.1038/s42005-020-00416-z

Computational Discovery and Experimental Demonstration of Boron Phosphide Ultraviolet Nanoresonators

Autorzy: Mark K. Svendsen; Hiroshi Sugimoto; Artyom Assadillayev; Daisuke Shima; Minoru Fujii; Kristian S. Thygesen; Søren Raza
Opublikowane w: Advanced Optical Materials, 2022, ISSN 2195-1071
Wydawca: Wiley
DOI: 10.1002/adom.202200422

Atomic Simulation Recipes – A Python framework and library for automated workflows

Autorzy: Morten Niklas Gjerding; Thorbjørn Skovhus; Asbjørn Rasmussen; Fabian Bertoldo; Ask Hjorth Larsen; Jens Jørgen Mortensen; Kristian Sommer Thygesen
Opublikowane w: Computational Materials Science, 2021, ISSN 0927-0256
Wydawca: Elsevier BV
DOI: 10.1016/j.commatsci.2021.110731

Engineering Atomically Sharp Potential Steps and Band Alignment at Solid Interfaces using 2D Janus Layers

Autorzy: Anders C. Riis-Jensen, Simone Manti, Kristian S. Thygesen
Opublikowane w: The Journal of Physical Chemistry C, Numer 124/17, 2020, Strona(/y) 9572-9580, ISSN 1932-7447
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcc.0c01286

V N C B defect as source of single photon emission from hexagonal boron nitride

Autorzy: A Sajid, Kristian S Thygesen
Opublikowane w: 2D Materials, Numer 7/3, 2020, Strona(/y) 031007, ISSN 2053-1583
Wydawca: Institute of Physics
DOI: 10.1088/2053-1583/ab8f61

Spin coherence times of point defects in two-dimensional materials from first principles

Autorzy: SAJID ALI; Kristian Sommer Thygesen
Opublikowane w: Physical Review B, Numer 106, 2022, Strona(/y) 104108, ISSN 2469-9969
Wydawca: American Physical Society (APS)
DOI: 10.1103/physrevb.106.104108

A library of ab initio Raman spectra for automated identification of 2D materials

Autorzy: Alireza Taghizadeh, Ulrik Leffers, Thomas G. Pedersen, Kristian S. Thygesen
Opublikowane w: Nature Communications, Numer 11/1, 2020, ISSN 2041-1723
Wydawca: 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>

Autorzy: Jinhua Hong; Mark Kamper Svendsen; Masanori Koshino; Thomas Pichler; Hua Xu; Kazu Suenaga; Kristian S. Thygesen
Opublikowane w: ACS Nano, 2022, ISSN 1936-0851
Wydawca: American Chemical Society
DOI: 10.1021/acsnano.2c03322

Quantum point defects in 2D materials - the QPOD database

Autorzy: Fabian Bertoldo; Sajid Ali; Simone Manti; Kristian S. Thygesen
Opublikowane w: Computational Materials, 2022, ISSN 2057-3960
Wydawca: 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

Autorzy: Denys I. Miakota; Raymond R. Unocic; Fabian Bertoldo; Ganesh Ghimire; Sara Engberg; David Geohegan; Kristian S. Thygesen; Stela Canulescu
Opublikowane w: Nanoscale, 2022, ISSN 2040-3372
Wydawca: Royal Chemical Society
DOI: 10.1039/d2nr01863b

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

Autorzy: Asbjørn Rasmussen; Thorsten Deilmann; Kristian Sommer Thygesen
Opublikowane w: npj Computational Materials, 2021, ISSN 2057-3960
Wydawca: Springer Nature
DOI: 10.1038/s41524-020-00480-7

Discovering two-dimensional topological insulators from high-throughput computations

Autorzy: Thomas Olsen, Erik Andersen, Takuya Okugawa, Daniele Torelli, Thorsten Deilmann, Kristian S. Thygesen
Opublikowane w: Physical Review Materials, Numer 3/2, 2019, ISSN 2475-9953
Wydawca: Americal Physical Society
DOI: 10.1103/physrevmaterials.3.024005

Anisotropic properties of monolayer 2D materials: An overview from the C2DB database

Autorzy: Luca Vannucci, Urko Petralanda, Asbjørn Rasmussen, Thomas Olsen, Kristian S. Thygesen
Opublikowane w: Journal of Applied Physics, Numer 128/10, 2020, Strona(/y) 105101, ISSN 0021-8979
Wydawca: American Institute of Physics
DOI: 10.1063/5.0021237

High oscillator strength interlayer excitons in two-dimensional heterostructures for mid-infrared photodetection

Autorzy: 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
Opublikowane w: Nature Nanotechnology, Numer 15/8, 2020, Strona(/y) 675-682, ISSN 1748-3387
Wydawca: Nature Publishing Group
DOI: 10.1038/s41565-020-0717-2

Data-driven discovery of novel 2D materials by deep generative models

Autorzy: Peder Lyngby; Kristian Sommer Thygesen
Opublikowane w: Computational Materials, Numer 8, 2022, Strona(/y) 232, ISSN 2057-3960
Wydawca: Springer Nature
DOI: 10.48550/arxiv.2206.12159

Enhancing and Controlling Plasmons in Janus MoSSe–Graphene Based van der Waals Heterostructures

Autorzy: L. S. R. Cavalcante, M. N. Gjerding, Andrey Chaves, K. S. Thygesen
Opublikowane w: The Journal of Physical Chemistry C, Numer 123/26, 2019, Strona(/y) 16373-16379, ISSN 1932-7447
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcc.9b04000

Unraveling the not-so-large trion binding energy in monolayer black phosphorus

Autorzy: Thorsten Deilmann, Kristian Sommer Thygesen
Opublikowane w: 2D Materials, Numer 5/4, 2018, Strona(/y) 041007, ISSN 2053-1583
Wydawca: 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

Autorzy: M. N. Gjerding, L. S. R. Cavalcante, Andrey Chaves, K. S. Thygesen
Opublikowane w: The Journal of Physical Chemistry C, 2020, ISSN 1932-7447
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcc.0c01635

Combining density functional theory with macroscopic QED for quantum light-matter interactions in 2D materials

Autorzy: Mark Kamper Svendsen; Yaniv Kurman; Peter Schmidt; Frank H. L. Koppens; Frank H. L. Koppens; Ido Kaminer; Kristian Sommer Thygesen
Opublikowane w: Nature Communications, Numer 18, 2021, ISSN 2041-1723
Wydawca: Nature Publishing Group
DOI: 10.1038/s41467-021-23012-3

Nano-imaging of intersubband transitions in van der Waals quantum wells

Autorzy: 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
Opublikowane w: Nature Nanotechnology, Numer 13/11, 2018, Strona(/y) 1035-1041, ISSN 1748-3387
Wydawca: Nature Publishing Group
DOI: 10.1038/s41565-018-0233-9

Intrinsic Defects in MoS2 Grown by Pulsed Laser Deposition: From Monolayers to Bilayers.

Autorzy: 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
Opublikowane w: ACS Nano, 2021, ISSN 1936-086X
Wydawca: American Chemical Society
DOI: 10.1021/acsnano.0c08835

Anomalous exciton Rydberg series in two-dimensional semiconductors on high- κ dielectric substrates

Autorzy: Anders C. Riis-Jensen; Morten Niklas Gjerding; Saverio Russo; Kristian Sommer Thygesen
Opublikowane w: Physical Review B, 2020, ISSN 2469-9969
Wydawca: APS
DOI: 10.1103/physrevb.102.201402

Structural and chemical mechanisms governing stability of inorganic Janus nanotubes

Autorzy: Felix T. Bölle; August Edwards Guldberg Mikkelsen; Kristian Sommer Thygesen; Tejs Vegge; Ivano E. Castelli
Opublikowane w: npj Computational Materials, 2021, ISSN 2057-3960
Wydawca: Nature Publishing Group
DOI: 10.1038/s41524-021-00505-9

Two-Dimensional Materials with Giant Optical Nonlinearities near the Theoretical Upper Limit

Autorzy: Alireza Taghizadeh; Kristian Sommer Thygesen; Thomas Garm Pedersen
Opublikowane w: ACS Nano, 2021, ISSN 1936-086X
Wydawca: American Chemical Society
DOI: 10.1021/acsnano.1c00344

Electrically controlled dielectric band gap engineering in a two-dimensional semiconductor

Autorzy: Anders C. Riis-Jensen, Jiong Lu, Kristian S. Thygesen
Opublikowane w: Physical Review B, Numer 101/12, 2020, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/physrevb.101.121110

Recent progress of the computational 2D materials database (C2DB)

Autorzy: 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
Opublikowane w: 2D Materials, 2021, ISSN 2053-1583
Wydawca: 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

Autorzy: Luca Vannucci, Thomas Olsen, Kristian S. Thygesen
Opublikowane w: Physical Review B, Numer 101/15, 2020, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/PhysRevB.101.155404

Indirect band gap semiconductors for thin-film photovoltaics: High-throughput calculation of phonon-assisted absorption

Autorzy: Jiban Kangsabanik; Mark Kamper Svendsen; Alireza Taghizadeh; Andrea Crovetto; Kristian S. Thygesen
Opublikowane w: Journal of American Chemical Society (JACS), 2022, ISSN 0002-7863
Wydawca: American Chemical Society
DOI: 10.1021/jacs.2c07567

The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals

Autorzy: 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
Opublikowane w: 2D Materials, Numer 5/4, 2018, Strona(/y) 042002, ISSN 2053-1583
Wydawca: Institute of Physics
DOI: 10.1088/2053-1583/aacfc1

Band structure of MoSTe Janus nanotubes

Autorzy: August Edwards Guldberg Mikkelsen; Felix T. Bölle; Kristian Sommer Thygesen; Tejs Vegge; Ivano E. Castelli
Opublikowane w: Physical Review Materials, 2021, ISSN 2475-9953
Wydawca: American Physical Society
DOI: 10.1103/physrevmaterials.5.014002

Classifying the Electronic and Optical Properties of Janus Monolayers

Autorzy: Anders C. Riis-Jensen, Thorsten Deilmann, Thomas Olsen, Kristian S. Thygesen
Opublikowane w: ACS Nano, Numer 13/11, 2019, Strona(/y) 13354-13364, ISSN 1936-0851
Wydawca: American Chemical Society
DOI: 10.1021/acsnano.9b06698

High throughput computational screening for 2D ferromagnetic materials: the critical role of anisotropy and local correlations

Autorzy: Daniele Torelli, Kristian S Thygesen, Thomas Olsen
Opublikowane w: 2D Materials, Numer 6/4, 2019, Strona(/y) 045018, ISSN 2053-1583
Wydawca: Institute of Physics
DOI: 10.1088/2053-1583/ab2c43

Finite-momentum exciton landscape in mono- and bilayer transition metal dichalcogenides

Autorzy: Thorsten Deilmann, Kristian Sommer Thygesen
Opublikowane w: 2D Materials, Numer 6/3, 2019, Strona(/y) 035003, ISSN 2053-1583
Wydawca: 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

Autorzy: Anders C. Riis-Jensen, Mohnish Pandey, Kristian S. Thygesen
Opublikowane w: The Journal of Physical Chemistry C, Numer 122/43, 2018, Strona(/y) 24520-24526, ISSN 1932-7447
Wydawca: 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

Autorzy: Thorsten Deilmann, Kristian Sommer Thygesen
Opublikowane w: Physical Review B, Numer 99/4, 2019, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/physrevb.99.045133

Spread-balanced Wannier functions: Robust and automatable orbital localization

Autorzy: Pietro F. Fontana; Ask Hjorth Larsen; Thomas Olsen; Kristian Sommer Thygesen
Opublikowane w: Physical Review Materials, 2021, ISSN 2475-9953
Wydawca: APS
DOI: 10.1103/physrevb.104.125140

Stacked Janus Device Concepts: Abrupt pn-Junctions and Cross-Plane Channels

Autorzy: Mattias Palsgaard, Tue Gunst, Troels Markussen, Kristian Sommer Thygesen, Mads Brandbyge
Opublikowane w: Nano Letters, Numer 18/11, 2018, Strona(/y) 7275-7281, ISSN 1530-6984
Wydawca: American Chemical Society
DOI: 10.1021/acs.nanolett.8b03474

WSe<sub>2</sub> as Transparent Top Gate for Infrared Near-Field Microscopy

Autorzy: Niels C. H. Hesp; Mark Kamper Svendsen; Kenji Watanabe; Takashi Taniguchi; Kristian S. Thygesen; Iacopo Torre; Frank H. L. Koppens
Opublikowane w: Nano Letters, 2022, ISSN 1530-6984
Wydawca: American Chemical Society
DOI: 10.1021/acs.nanolett.2c01658

Engineering covalently bonded 2D layered materials by self-intercalation

Autorzy: 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
Opublikowane w: Nature, Numer 581/7807, 2020, Strona(/y) 171-177, ISSN 0028-0836
Wydawca: Nature Publishing Group
DOI: 10.1038/s41586-020-2241-9

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