@article{Lutsyk2023, 
author = {Iaroslav Lutsyk and Karol Szalowski and Pawel Krukowski and Pawel Dabrowski and Maciej Rogala and Witold Kozlowski and Maxime Le Ster and Michal Piskorski and Dorota A. Kowalczyk and Wojciech Rys and Rafal Dunal and Aleksandra Nadolska and Klaudia Toczek and Przemyslaw Przybysz and Ewa Lacinska and Johannes Binder and Andrzej Wysmolek and Natalia Olszowska and Jacek J. Kolodziej and Martin Gmitra and Takuma Hattori and Yuji Kuwahara and Guang Bian and Tai-Chang Chiang and Pawel J. Kowalczyk},
title = {Influence of structural defects on charge density waves in 1T-TaS2},
year = {2023},
journal = {Nano Research},
volume = {16},
number = {8},
pages = {11528-11539},
url = {https://www.sciopen.com/article/10.1007/s12274-023-5876-7},
doi = {10.1007/s12274-023-5876-7},
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.}
}