Publication
Title
Comparative analysis of tight-binding models for transition metal dichalcogenides
Author
Abstract
We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on TMDs.
Language
English
Source (journal)
SciPost physics core
Publication
2024
DOI
10.21468/SCIPOSTPHYSCORE.7.1.004
Volume/pages
7 :1 (2024) , p. 1-30
Article Reference
004
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Record
Identifier
Creation 06.02.2024
Last edited 07.02.2024
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