{"title":"Revealing the Charge Density Wave Caused by Peierls Instability in Two-Dimensional NbSe2","authors":"Yung-Ting Lee, Po-Tuan Chen, Zheng-Hong Li, Jyun-Yu Wu, Chia-Nung Kuo, Chin Shan Lue, Chien-Te Wu, Chien-Cheng Kuo, Cheng-Tien Chiang, Taisuke Ozaki, Chun-Liang Lin*, Chi-Cheng Lee*, Hung-Chung Hsueh* and Ming-Chiang Chung*, ","doi":"10.1021/acsmaterialslett.4c00142","DOIUrl":null,"url":null,"abstract":"<p >The formation of a charge density wave (CDW) in 2D materials caused by Peierls instability is a controversial topic. This study investigates the extensively debated role of Fermi surface nesting in causing the CDW state in 2<i>H</i>-NbSe<sub>2</sub> materials. Four NbSe<sub>2</sub> structures are identified on the basis of the characteristics in scanning tunneling microscopy images and first-principles simulations. The calculations reveal that an energetically favored filled phase corresponds to Peierls’ description with fully opened gaps at the CDW Brillouin zone boundary, resulting in a drop at the Fermi level in the density of states and scanning tunneling spectroscopy spectra. The electronic susceptibility and phonon instability indicate that the Fermi surface nesting is triggered by two nesting vectors, whereas the involvement of only one nesting vector leads to a so-called stripe phase. This comprehensive study demonstrates that the filled phase of NbSe<sub>2</sub> can be categorized as a Peierls instability-induced CDW in two-dimensional systems.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":null,"pages":null},"PeriodicalIF":9.6000,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Materials Letters","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acsmaterialslett.4c00142","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The formation of a charge density wave (CDW) in 2D materials caused by Peierls instability is a controversial topic. This study investigates the extensively debated role of Fermi surface nesting in causing the CDW state in 2H-NbSe2 materials. Four NbSe2 structures are identified on the basis of the characteristics in scanning tunneling microscopy images and first-principles simulations. The calculations reveal that an energetically favored filled phase corresponds to Peierls’ description with fully opened gaps at the CDW Brillouin zone boundary, resulting in a drop at the Fermi level in the density of states and scanning tunneling spectroscopy spectra. The electronic susceptibility and phonon instability indicate that the Fermi surface nesting is triggered by two nesting vectors, whereas the involvement of only one nesting vector leads to a so-called stripe phase. This comprehensive study demonstrates that the filled phase of NbSe2 can be categorized as a Peierls instability-induced CDW in two-dimensional systems.
期刊介绍:
ACS Materials Letters is a journal that publishes high-quality and urgent papers at the forefront of fundamental and applied research in the field of materials science. It aims to bridge the gap between materials and other disciplines such as chemistry, engineering, and biology. The journal encourages multidisciplinary and innovative research that addresses global challenges. Papers submitted to ACS Materials Letters should clearly demonstrate the need for rapid disclosure of key results. The journal is interested in various areas including the design, synthesis, characterization, and evaluation of emerging materials, understanding the relationships between structure, property, and performance, as well as developing materials for applications in energy, environment, biomedical, electronics, and catalysis. The journal has a 2-year impact factor of 11.4 and is dedicated to publishing transformative materials research with fast processing times. The editors and staff of ACS Materials Letters actively participate in major scientific conferences and engage closely with readers and authors. The journal also maintains an active presence on social media to provide authors with greater visibility.