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

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.

doi:10.1007/s12274-023-5876-7

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

Journal Article · Tue Jul 18 00:00:00 EDT 2023 · Nano Research

DOI:https://doi.org/10.1007/s12274-023-5876-7· OSTI ID:2419200

Lutsyk, Iaroslav ^[1]; 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 more »

OSTI

Abstract

The influence of intrinsic defects of 1T-TaS₂on 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-TaS₂depends on the substitution site, leading to the heterogeneity of electronic properties.

Research Organization:: Univ. of Illinois at Urbana-Champaign, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: FG02-07ER46383

OSTI ID:: 2419200

Journal Information:: Nano Research, Journal Name: Nano Research Journal Issue: 8 Vol. 16; ISSN 1998-0124

Publisher:: Springer

Country of Publication:: United States

Language:: English

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