Coexisting charge density waves in twisted bilayer NbSe2
File(s)
Author(s)
Type
Journal Article
Abstract
Twisted bilayers of 2D materials have emerged as a tunable platform for studying broken symmetry phases. While most interest has been focused toward emergent states in systems whose constituent monolayers do not feature broken symmetry states, assembling monolayers that exhibit ordered states into twisted bilayers can also give rise to interesting phenomena. Here, we use first-principles density-functional theory calculations to study the atomic structure of twisted bilayer NbSe2 whose constituent monolayers feature a charge density wave. We find that different charge density wave states coexist in the ground state of the twisted bilayer: monolayer-like 3 × 3 triangular and hexagonal charge density waves are observed in low-energy stacking regions, while stripe charge density waves are found in the domain walls surrounding the low-energy stacking regions. These predictions, which can be tested by scanning tunneling microscopy experiments, highlight the potential to create complex charge density wave ground states in twisted bilayer systems.
Date Issued
2024-10-02
Date Acceptance
2024-09-16
Citation
Nano Letters, 2024, 24 (39), pp.12088-12094
ISSN
1530-6984
Publisher
American Chemical Society
Start Page
12088
End Page
12094
Journal / Book Title
Nano Letters
Volume
24
Issue
39
Copyright Statement
© 2024 The Authors. Published by American Chemical Society. This publication is licensed under
CC-BY 4.0 .
CC-BY 4.0 .
License URL
Identifier
https://pubs.acs.org/doi/10.1021/acs.nanolett.4c02750
Subjects
2D materials
charge density waves
Chemistry
Chemistry, Multidisciplinary
Chemistry, Physical
first-principlessimulation
Materials Science
Materials Science, Multidisciplinary
Nanoscience & Nanotechnology
PHASES
Physical Sciences
Physics
Physics, Applied
Physics, Condensed Matter
Science & Technology
Science & Technology - Other Topics
SUPERCONDUCTIVITY
Technology
TRANSITION
twistronics
Publication Status
Published
Date Publish Online
2024-09-19