Theoretical study about band-gap and velocity Fermi renormalization of carrier density in monolayer transition-metal dichalcogenides

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Science and Engineering: B Pub Date : 2025-01-13 DOI:10.1016/j.mseb.2025.117995

Le Van Tan

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引用次数: 0

Abstract

This study explores how electron–hole interactions affect the band-gap renormalization (BGR) and Fermi velocity renormalization (VF) properties in two-dimensional (2D) transition-metal dichalcogenides, considering both many-body effects and temperature influence. Through computations based on the Hartree–Fock approximation (HFA), we investigate the alterations in band-gap and electron Fermi velocity renormalization induced by these fields. Our study unveils notable differences in these properties between low and high temperatures in transition-metal dichalcogenides. Moreover, we observe that the band-gap renormalization increases as temperature decreases and density decreases. Comparison between theoretical predictions based on the random phase approximation theory and experimental measurements of electron velocity in optical transitions shows promising agreement. These findings provide valuable insights into the intricate effects of Coulomb interaction and exchange energy on semiconductor properties across diverse temperature and density ranges.

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来源期刊

Materials Science and Engineering: B 工程技术-材料科学：综合

CiteScore

5.60

自引率

2.80%

发文量

481

审稿时长

3.5 months

期刊介绍： The journal provides an international medium for the publication of theoretical and experimental studies and reviews related to the electronic, electrochemical, ionic, magnetic, optical, and biosensing properties of solid state materials in bulk, thin film and particulate forms. Papers dealing with synthesis, processing, characterization, structure, physical properties and computational aspects of nano-crystalline, crystalline, amorphous and glassy forms of ceramics, semiconductors, layered insertion compounds, low-dimensional compounds and systems, fast-ion conductors, polymers and dielectrics are viewed as suitable for publication. Articles focused on nano-structured aspects of these advanced solid-state materials will also be considered suitable.