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Title
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Comparative analysis of tight-binding models for transition metal dichalcogenides
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Author
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Abstract
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| 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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Language
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English
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Source (journal)
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SciPost physics core
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Publication
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2024
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DOI
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10.21468/SCIPOSTPHYSCORE.7.1.004
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Volume/pages
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7
:1
(2024)
, p. 1-30
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Article Reference
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004
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ISI
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001170769300001
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Full text (Publisher's DOI)
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Full text (open access)
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