journal article·2024-07-01

Revealing the Charge Density Wave Caused by Peierls Instability in Two-Dimensional NbSe2

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, Ming-Chiang Chung

ACS Materials Letters· Volume 6· Issue 7
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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 2 H -NbSe 2 materials. Four NbSe 2 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 2 can be categorized as a Peierls instability-induced CDW in two-dimensional systems.
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Research context

OpenAlex topics: Organic and Molecular Conductors Research · 2D Materials and Applications · Physics of Superconductivity and Magnetism

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Electrophysics, National Yang Ming Chiao Tung University, Hsinchu, 300093, Taiwan

Department of Vehicle Engineering, National Taipei University of Technology, Taipei, 10608, Taiwan

Department of Physics, National Cheng Kung University, Tainan City, 70101, Taiwan

Taiwan Consortium of Emergent Crystalline Materials, National Science and Technology Council, Taipei, 10601, Taiwan

Physics Division, National Center for Theoretical Sciences, Taipei, 10617, Taiwan

Department of Physics, National Sun Yat-sen University, Kaohsiung, 80424, Taiwan

Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei, 10617, Taiwan

Department of Physics, Tamkang University, Tamsui, New Taipei City, 251301, Taiwan

Institute for Solid State Physics, The University of Tokyo, Kashiwa Chiba, 277-8581, Japan

Center of Advanced Spectroscopy and Smart Inspection for Material Research, Tamkang University, Tamsui New Taipei City, 251301, Taiwan

Department of Physics, National Chung Hsing University, Taichung, 40227, Taiwan

Max Planck Institute for the Physics of Complex Systems, Nöthnitzer Straße 38, Dresden, 01187, Germany

Funding

Ministry of Science and Technology, Taiwan

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