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

The influence of intrinsic defects of 1T-TaS 2 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 t...

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Bibliographic Details
Published in:	Nano research Vol. 16; no. 8; pp. 11528 - 11539
Main Authors:	Lutsyk, Iaroslav, Szalowski, Karoli, Krukowski, Pawel, Dabrowski, Pawel, Rogala, Maciej, Kozlowski, Witold, Le Ster, Maxime, Piskorski, Michal, Kowalczyk, Dorota A., Rys, Wojciech, Dunal, Rafal, Nadolska, Aleksandra, Toczek, Klaudia, Przybysz, Przemyslaw, Lacinska, Ewa, Binder, Johannes, Wysmolek, Andrzej, Olszowska, Natalia, Kolodziej, Jacek J., Gmitra, Martin, Hattori, Takuma, Kuwahara, Yuji, Bian, Guang, Chiang, Tai-Chang, Kowalczyk, Pawel J.
Format:	Journal Article
Language:	English
Published:	Beijing Tsinghua University Press 01-08-2023 Springer Nature B.V Springer
Subjects:	Atomic/Molecular Structure and Spectra Biomedicine Biotechnology Charge density waves Chemistry Chemistry and Materials Science Condensed Matter Physics Defects Density functional theory Electron states Electronic properties Electronic structure Heterogeneity Materials Science Nanotechnology Oxidation Photoelectron spectroscopy Photoelectrons Physics Research Article Scanning tunneling microscopy Science & Technology - Other Topics Spectroscopy Spectrum analysis Substitutes Sulfur
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Summary:	The influence of intrinsic defects of 1T-TaS 2 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-TaS 2 depends on the substitution site, leading to the heterogeneity of electronic properties.
Bibliography:	USDOE Office of Science (SC) FG02-07ER46383
ISSN:	1998-0124 1998-0000
DOI:	10.1007/s12274-023-5876-7