Controlling light-matter interactions by quantum designed 2D materials

Informazioni relative al progetto

LIMA

ID dell’accordo di sovvenzione: 773122

DOI 10.3030/773122

Progetto chiuso

Data della firma CE 13 Febbraio 2018

Data di avvio 1 Aprile 2018

Data di completamento 30 Settembre 2023

Finanziato da

• EXCELLENT SCIENCE - European Research Council (ERC)

Costo totale € 1 951 353,75

Contributo UE € 1 951 353,75

Coordinato da

DANMARKS TEKNISKE UNIVERSITET
Denmark

Risultati finali

Open Research Data Pilot (1)

Open access

Data management plan

Pubblicazioni

Peer reviewed articles (40)

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

Autori: Thorsten Deilmann, Kristian Sommer Thygesen
Pubblicato in: Nano Letters, Numero 18/5, 2018, Pagina/e 2984-2989, ISSN 1530-6984
Editore: American Chemical Society
DOI: 10.1021/acs.nanolett.8b00438

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

Autori: A. Sajid, Kristian S. Thygesen, Jeffrey R. Reimers, Michael J. Ford
Pubblicato in: Communications Physics, Numero 3/1, 2020, ISSN 2399-3650
Editore: Nature Research
DOI: 10.1038/s42005-020-00416-z

Computational Discovery and Experimental Demonstration of Boron Phosphide Ultraviolet Nanoresonators

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

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

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

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

Autori: Anders C. Riis-Jensen, Simone Manti, Kristian S. Thygesen
Pubblicato in: The Journal of Physical Chemistry C, Numero 124/17, 2020, Pagina/e 9572-9580, ISSN 1932-7447
Editore: American Chemical Society
DOI: 10.1021/acs.jpcc.0c01286

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

Autori: A Sajid, Kristian S Thygesen
Pubblicato in: 2D Materials, Numero 7/3, 2020, Pagina/e 031007, ISSN 2053-1583
Editore: Institute of Physics
DOI: 10.1088/2053-1583/ab8f61

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

Autori: SAJID ALI; Kristian Sommer Thygesen
Pubblicato in: Physical Review B, Numero 106, 2022, Pagina/e 104108, ISSN 2469-9969
Editore: American Physical Society (APS)
DOI: 10.1103/physrevb.106.104108

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

Autori: Alireza Taghizadeh, Ulrik Leffers, Thomas G. Pedersen, Kristian S. Thygesen
Pubblicato in: Nature Communications, Numero 11/1, 2020, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-020-16529-6

Momentum-Dependent Oscillator Strength Crossover of Excitons and Plasmons in Two-Dimensional PtSe₂

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

Quantum point defects in 2D materials - the QPOD database

Autori: Fabian Bertoldo; Sajid Ali; Simone Manti; Kristian S. Thygesen
Pubblicato in: Computational Materials, 2022, ISSN 2057-3960
Editore: 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

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

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

Autori: Asbjørn Rasmussen; Thorsten Deilmann; Kristian Sommer Thygesen
Pubblicato in: npj Computational Materials, 2021, ISSN 2057-3960
Editore: Springer Nature
DOI: 10.1038/s41524-020-00480-7

Discovering two-dimensional topological insulators from high-throughput computations

Autori: Thomas Olsen, Erik Andersen, Takuya Okugawa, Daniele Torelli, Thorsten Deilmann, Kristian S. Thygesen
Pubblicato in: Physical Review Materials, Numero 3/2, 2019, ISSN 2475-9953
Editore: Americal Physical Society
DOI: 10.1103/physrevmaterials.3.024005

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

Autori: Luca Vannucci, Urko Petralanda, Asbjørn Rasmussen, Thomas Olsen, Kristian S. Thygesen
Pubblicato in: Journal of Applied Physics, Numero 128/10, 2020, Pagina/e 105101, ISSN 0021-8979
Editore: American Institute of Physics
DOI: 10.1063/5.0021237

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

Autori: 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
Pubblicato in: Nature Nanotechnology, Numero 15/8, 2020, Pagina/e 675-682, ISSN 1748-3387
Editore: Nature Publishing Group
DOI: 10.1038/s41565-020-0717-2

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

Autori: Peder Lyngby; Kristian Sommer Thygesen
Pubblicato in: Computational Materials, Numero 8, 2022, Pagina/e 232, ISSN 2057-3960
Editore: Springer Nature
DOI: 10.48550/arxiv.2206.12159

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

Autori: L. S. R. Cavalcante, M. N. Gjerding, Andrey Chaves, K. S. Thygesen
Pubblicato in: The Journal of Physical Chemistry C, Numero 123/26, 2019, Pagina/e 16373-16379, ISSN 1932-7447
Editore: American Chemical Society
DOI: 10.1021/acs.jpcc.9b04000

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

Autori: Thorsten Deilmann, Kristian Sommer Thygesen
Pubblicato in: 2D Materials, Numero 5/4, 2018, Pagina/e 041007, ISSN 2053-1583
Editore: 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

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

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

Autori: Mark Kamper Svendsen; Yaniv Kurman; Peter Schmidt; Frank H. L. Koppens; Frank H. L. Koppens; Ido Kaminer; Kristian Sommer Thygesen
Pubblicato in: Nature Communications, Numero 18, 2021, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-021-23012-3

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

Autori: 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
Pubblicato in: Nature Nanotechnology, Numero 13/11, 2018, Pagina/e 1035-1041, ISSN 1748-3387
Editore: Nature Publishing Group
DOI: 10.1038/s41565-018-0233-9

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

Autori: 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
Pubblicato in: ACS Nano, 2021, ISSN 1936-086X
Editore: American Chemical Society
DOI: 10.1021/acsnano.0c08835

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

Autori: Anders C. Riis-Jensen; Morten Niklas Gjerding; Saverio Russo; Kristian Sommer Thygesen
Pubblicato in: Physical Review B, 2020, ISSN 2469-9969
Editore: APS
DOI: 10.1103/physrevb.102.201402

Structural and chemical mechanisms governing stability of inorganic Janus nanotubes

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

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

Autori: Alireza Taghizadeh; Kristian Sommer Thygesen; Thomas Garm Pedersen
Pubblicato in: ACS Nano, 2021, ISSN 1936-086X
Editore: American Chemical Society
DOI: 10.1021/acsnano.1c00344

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

Autori: Anders C. Riis-Jensen, Jiong Lu, Kristian S. Thygesen
Pubblicato in: Physical Review B, Numero 101/12, 2020, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/physrevb.101.121110

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

Autori: 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
Pubblicato in: 2D Materials, 2021, ISSN 2053-1583
Editore: 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

Autori: Luca Vannucci, Thomas Olsen, Kristian S. Thygesen
Pubblicato in: Physical Review B, Numero 101/15, 2020, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.101.155404

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

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

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

Autori: 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
Pubblicato in: 2D Materials, Numero 5/4, 2018, Pagina/e 042002, ISSN 2053-1583
Editore: Institute of Physics
DOI: 10.1088/2053-1583/aacfc1

Band structure of MoSTe Janus nanotubes

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

Classifying the Electronic and Optical Properties of Janus Monolayers

Autori: Anders C. Riis-Jensen, Thorsten Deilmann, Thomas Olsen, Kristian S. Thygesen
Pubblicato in: ACS Nano, Numero 13/11, 2019, Pagina/e 13354-13364, ISSN 1936-0851
Editore: American Chemical Society
DOI: 10.1021/acsnano.9b06698

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

Autori: Daniele Torelli, Kristian S Thygesen, Thomas Olsen
Pubblicato in: 2D Materials, Numero 6/4, 2019, Pagina/e 045018, ISSN 2053-1583
Editore: Institute of Physics
DOI: 10.1088/2053-1583/ab2c43

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

Autori: Thorsten Deilmann, Kristian Sommer Thygesen
Pubblicato in: 2D Materials, Numero 6/3, 2019, Pagina/e 035003, ISSN 2053-1583
Editore: 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

Autori: Anders C. Riis-Jensen, Mohnish Pandey, Kristian S. Thygesen
Pubblicato in: The Journal of Physical Chemistry C, Numero 122/43, 2018, Pagina/e 24520-24526, ISSN 1932-7447
Editore: 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

Autori: Thorsten Deilmann, Kristian Sommer Thygesen
Pubblicato in: Physical Review B, Numero 99/4, 2019, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/physrevb.99.045133

Spread-balanced Wannier functions: Robust and automatable orbital localization

Autori: Pietro F. Fontana; Ask Hjorth Larsen; Thomas Olsen; Kristian Sommer Thygesen
Pubblicato in: Physical Review Materials, 2021, ISSN 2475-9953
Editore: APS
DOI: 10.1103/physrevb.104.125140

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

Autori: Mattias Palsgaard, Tue Gunst, Troels Markussen, Kristian Sommer Thygesen, Mads Brandbyge
Pubblicato in: Nano Letters, Numero 18/11, 2018, Pagina/e 7275-7281, ISSN 1530-6984
Editore: American Chemical Society
DOI: 10.1021/acs.nanolett.8b03474

WSe₂ as Transparent Top Gate for Infrared Near-Field Microscopy

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

Engineering covalently bonded 2D layered materials by self-intercalation

Autori: 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
Pubblicato in: Nature, Numero 581/7807, 2020, Pagina/e 171-177, ISSN 0028-0836
Editore: Nature Publishing Group
DOI: 10.1038/s41586-020-2241-9