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Author | Jorissen, B.; Covaci, L.; Partoens, B. | ||||
Title | Comparative analysis of tight-binding models for transition metal dichalcogenides | Type | A1 Journal article | ||
Year | 2024 | Publication | SciPost physics core | Abbreviated Journal | |
Volume | 7 | Issue | 1 | Pages | 004-30 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
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. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 001170769300001 | Publication Date | 2024-02-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
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ISSN | ISBN | Additional Links ![]() |
UA library record; WoS full record; WoS citing articles | ||
Impact Factor | Times cited | Open Access | Not_Open_Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:202983 | Serial | 9012 | ||
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