Comparative Analysis of Tight-Binding models for Transition Metal Dichalcogenides

Autor:	Jorissen, Bert, Covaci, Lucian, Partoens, Bart
Rok vydání:	2023
Předmět:	Condensed Matter - Materials Science
Zdroj:	SciPost Phys. Core 7, 004 (2024)
Druh dokumentu:	Working Paper
DOI:	10.21468/SciPostPhysCore.7.1.004
Popis:	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 $MoS_2$ 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. Comment: 29 pages, 8 figures, corrected parameters in appendix
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/2312.00498 Zobrazit plný text záznamu View this record from Arxiv