Back to Search Start Over

Complex charge density waves in simple electronic systems of two-dimensional III2–VI3 materials

Authors :
Yu-Ting Huang
Zhen-Ze Li
Nian-Ke Chen
Yeliang Wang
Hong-Bo Sun
Shengbai Zhang
Xian-Bin Li
Source :
Nature Communications, Vol 15, Iss 1, Pp 1-9 (2024)
Publication Year :
2024
Publisher :
Nature Portfolio, 2024.

Abstract

Abstract Charge density wave (CDW) is the phenomenon of a material that undergoes a spontaneous lattice distortion and modulation of the electron density. Typically, the formation of CDW is attributed to Fermi surface nesting or electron-phonon coupling, where the CDW vector (Q CDW) corresponds to localized extreme points of electronic susceptibility or imaginary phonon frequencies. Here, we propose a new family of multiple CDW orders, including chiral Star-of-David configuration in nine 2D III2–VI3 van der Waals materials, backed by first-principles calculations. The distinct feature of this system is the presence of large and flat imaginary frequencies in the optical phonon branch across the Brillouin zone, which facilitates the formation of the diverse CDW phases. The electronic structures of 2D III2–VI3 materials are relatively simple, with only III-s,p and VI-p orbitals contributing to the formation of the CDW order. Despite that, the CDW transitions involve both metal-to-insulator and insulator-to-insulator transitions, accompanied by a significant increase in the bandgap caused by an enhanced electronic localization. Our study not only reveals a new dimension in the family of 2D CDWs, but is also expected to offer deeper insights into the origins of the CDWs.

Subjects

Subjects :
Science

Details

Language :
English
ISSN :
20411723
Volume :
15
Issue :
1
Database :
Directory of Open Access Journals
Journal :
Nature Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.81d74ab78f4c0f97d410cc8b362507
Document Type :
article
Full Text :
https://doi.org/10.1038/s41467-024-54205-1