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Nano Research 2023, 16(8): 11528-11539 https://doi.org/10.1007/s12274-023-5876-7
Research Article | Open Access | Issue | Published: 18 July 2023

Influence of structural defects on charge density waves in 1T-TaS2

Show Author's Information Iaroslav Lutsyk1,  Karol Szalowski1( ),  Pawel Krukowski1,  Pawel Dabrowski1,  Maciej Rogala1,  Witold Kozlowski1,  Maxime Le Ster1,  Michal Piskorski1,  Dorota A. Kowalczyk1,  Wojciech Rys1,  Rafal Dunal1,  Aleksandra Nadolska1,  Klaudia Toczek1,  Przemyslaw Przybysz1,  Ewa Lacinska2,  Johannes Binder2,  Andrzej Wysmolek2,  Natalia Olszowska3,4,  Jacek J. Kolodziej3,4,  Martin Gmitra5,6,  Takuma Hattori7,  Yuji Kuwahara7,  Guang Bian8,  Tai-Chang Chiang9,  Pawel J. Kowalczyk1( )
Faculty of Physics and Applied Informatics, University of Lodz, Pomorska 149/153, 90-236 Lodz, Poland
Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland
Faculty of Physics, Astronomy, and Applied Computer Science, Jagiellonian University, Lojasiewicza 11, 30-348 Krakow, Poland
National Synchrotron Radiation Centre SOLARIS, Jagiellonian University, Czerwone Maki 98, 30-392 Kraków, Poland
Institute of Physics, Faculty of Science, Pavol Jozef Šafárik University in Košice, Park Angelinum 9, 040 01 Košice, Slovakia
Institute of Experimental Physics, Slovak Academy of Sciences, Watsonova 47, 040 01 Košice, Slovakia
Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita 565-0871, Japan
Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA
Department of Physics and Frederick Seitz Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801-3080, USA
Topics:
Crystal defectsElectronic states Narrow band gap semiconductors Photoelectron spectroscopyScanning tunneling microscopyScanning tunneling microscopySpin orbit couplingSurface defects
An erratum to this article is available online at https://doi.org/10.1007/s12274-023-6018-y
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Lutsyk I, Szalowski K, Krukowski P, et al. Influence of structural defects on charge density waves in 1T-TaS2. Nano Research, 2023, 16(8): 11528-11539. https://doi.org/10.1007/s12274-023-5876-7
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Abstract Full text Electronic supplementary material About this article

The influence of intrinsic defects of 1T-TaS2 on charge density waves (CDWs) is studied using scanning tunneling microscopy and spectroscopy (STM, STS), angle-resolved photoelectron spectroscopy (ARPES), and density functional theory (DFT). We identify several types of structural defects and find that most have a local character limited to a single CDW site, with a single exception which effectively behaves as a dopant, leading to band-bending and affecting multiple neighboring sites. While only one type of defect can be observed by STM topographic imaging, all defects are easily resolved in STS mapping. Our results indicate modulation of the Mott band gap commensurate with the CDW and breaking of the three-fold symmetry of electronic states. DFT calculations (with included Coulomb interactions) are used to investigate the electronic structure, focusing on both sulfur vacancy and oxygen-sulfur substitution. The sulfur vacancy system, characterized with a metallic behavior, is identified as the origin of one of the experimentally observed defects. Additionally, the effect of oxidation of 1T-TaS2 depends on the substitution site, leading to the heterogeneity of electronic properties.


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About this article

Influence of structural defects on charge density waves in 1T-TaS2

Show Author's information Iaroslav Lutsyk1, Karol Szalowski1( ), Pawel Krukowski1, Pawel Dabrowski1, Maciej Rogala1, Witold Kozlowski1, Maxime Le Ster1, Michal Piskorski1, Dorota A. Kowalczyk1, Wojciech Rys1, Rafal Dunal1, Aleksandra Nadolska1, Klaudia Toczek1, Przemyslaw Przybysz1, Ewa Lacinska2, Johannes Binder2, Andrzej Wysmolek2, Natalia Olszowska3,4, Jacek J. Kolodziej3,4, Martin Gmitra5,6, Takuma Hattori7, Yuji Kuwahara7, Guang Bian8, Tai-Chang Chiang9, Pawel J. Kowalczyk1( )
Faculty of Physics and Applied Informatics, University of Lodz, Pomorska 149/153, 90-236 Lodz, Poland
Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warsaw, Poland
Faculty of Physics, Astronomy, and Applied Computer Science, Jagiellonian University, Lojasiewicza 11, 30-348 Krakow, Poland
National Synchrotron Radiation Centre SOLARIS, Jagiellonian University, Czerwone Maki 98, 30-392 Kraków, Poland
Institute of Physics, Faculty of Science, Pavol Jozef Šafárik University in Košice, Park Angelinum 9, 040 01 Košice, Slovakia
Institute of Experimental Physics, Slovak Academy of Sciences, Watsonova 47, 040 01 Košice, Slovakia
Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita 565-0871, Japan
Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA
Department of Physics and Frederick Seitz Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801-3080, USA

Abstract

The influence of intrinsic defects of 1T-TaS2 on charge density waves (CDWs) is studied using scanning tunneling microscopy and spectroscopy (STM, STS), angle-resolved photoelectron spectroscopy (ARPES), and density functional theory (DFT). We identify several types of structural defects and find that most have a local character limited to a single CDW site, with a single exception which effectively behaves as a dopant, leading to band-bending and affecting multiple neighboring sites. While only one type of defect can be observed by STM topographic imaging, all defects are easily resolved in STS mapping. Our results indicate modulation of the Mott band gap commensurate with the CDW and breaking of the three-fold symmetry of electronic states. DFT calculations (with included Coulomb interactions) are used to investigate the electronic structure, focusing on both sulfur vacancy and oxygen-sulfur substitution. The sulfur vacancy system, characterized with a metallic behavior, is identified as the origin of one of the experimentally observed defects. Additionally, the effect of oxidation of 1T-TaS2 depends on the substitution site, leading to the heterogeneity of electronic properties.

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Received: 18 March 2023
Revised: 22 May 2023
Accepted: 30 May 2023
Published: 18 July 2023
Issue date: August 2023

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© The authors, corrected publication 2023

Acknowledgements

This work has been supported by the National Science Centre, Poland under grants 2015/19/B/ST3/03142 and 2019/32/T/ST3/00487. M. L. S. thanks for University of Lodz support under IDUB 6/JRR/2021 project. T. -C. C acknowledges support of the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Materials Science and Engineering, under Grant No. DE-FG02-07ER46383. M. G. acknowledges financial support provided by Slovak Research and Development Agency provided under Contract No. APVV-SK-CZ-RD-21-0114 and by the Ministry of Education, Science, Research and Sport of the Slovak Republic provided under Grant No. VEGA 1/0105/20 and Slovak Academy of Sciences project IMPULZ IM-2021-42 and project FLAG ERA JTC 2021 2DSOTECH. Author acknowledges the provision of the Polish Ministry of Education and Science project (Support for research and development with the use of research infrastructure of the National Synchrotron Radiation Centre SOLARIS” under contract nr 1/SOL/2021/2). We acknowledge the SOLARIS Centre for the access to the Beamline URANOS (former UARPES), where the measurements were performed.

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