Tunable electronic band structure in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi mathvariant="normal">W</mml:mi> <mml:msub> <mml:mi mathvariant="normal">S</mml:mi> <mml:mrow> <mml:mn>2</mml:mn> <mml:mo>(</mml:mo> <mml

The electronic structure of semiconducting 2D materials such as transition metal dichalcogenides (TMDs) is known to be tunable by its environment, from simple external fields applied with electrical contacts up to complex van der Waals heterostructure assemblies. However, conventional alloying from reference binary TMD compounds to composition-controlled ternary alloys also offers unexplored opportunities. In this work, we use nano-angle resolved photoemission spectroscopy (nano-ARPES) and density functional theory (DFT) calculations to study the structural and electronic properties of different alloy compositions of bulk $\mathrm{W}{\mathrm{S}}_{2(1\ensuremath{-}x)}\mathrm{S}{\mathrm{e}}_{2x}$. Our results demonstrate the continuous variation of the band structure and the progressive evolution of the valence band splitting at the K points from 420 to 520 meV in bulk $\mathrm{W}{\mathrm{S}}_{2(1\ensuremath{-}x)}\mathrm{S}{\mathrm{e}}_{2x}$. We also carried out scanning tunneling microscopy (STM) measurements and DFT to understand the possible S or Se substitutions variants in $\mathrm{W}{\mathrm{S}}_{2(1\ensuremath{-}x)}\mathrm{S}{\mathrm{e}}_{2x}$ alloys, with different local atomic configurations. Our work opens up perspectives for the fine control of the band dispersion in van der Waals materials and demonstrates how the band structure can be tuned in bulk TMDs. The collected information can serve as a reference for future applications.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2025-11-13
DOI
https://doi.org/10.1103/z9l2-3qw8
Primary Topic
2D Materials and Applications
Type
article
Field-Weighted Citation Impact
0.00
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article

Tunable electronic band structure in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi mathvariant="normal">W</mml:mi> <mml:msub> <mml:mi mathvariant="normal">S</mml:mi> <mml:mrow> <mml:mn>2</mml:mn> <mml:mo>(</mml:mo> <mml

Karl J. Friston
Physical review. B./Physical review. B
2D Materials and Applications
article

Tunable electronic band structure in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mi mathvariant="normal">W</mml:mi> <mml:msub> <mml:mi mathvariant="normal">S</mml:mi> <mml:mrow> <mml:mn>2</mml:mn> <mml:mo>(</mml:mo> <mml

Karl J. Friston
article en

Abstract

The electronic structure of semiconducting 2D materials such as transition metal dichalcogenides (TMDs) is known to be tunable by its environment, from simple external fields applied with electrical contacts up to complex van der Waals heterostructure assemblies. However, conventional alloying from reference binary TMD compounds to composition-controlled ternary alloys also offers unexplored opportunities. In this work, we use nano-angle resolved photoemission spectroscopy (nano-ARPES) and density functional theory (DFT) calculations to study the structural and electronic properties of different alloy compositions of bulk $\mathrm{W}{\mathrm{S}}_{2(1\ensuremath{-}x)}\mathrm{S}{\mathrm{e}}_{2x}$. Our results demonstrate the continuous variation of the band structure and the progressive evolution of the valence band splitting at the K points from 420 to 520 meV in bulk $\mathrm{W}{\mathrm{S}}_{2(1\ensuremath{-}x)}\mathrm{S}{\mathrm{e}}_{2x}$. We also carried out scanning tunneling microscopy (STM) measurements and DFT to understand the possible S or Se substitutions variants in $\mathrm{W}{\mathrm{S}}_{2(1\ensuremath{-}x)}\mathrm{S}{\mathrm{e}}_{2x}$ alloys, with different local atomic configurations. Our work opens up perspectives for the fine control of the band dispersion in van der Waals materials and demonstrates how the band structure can be tuned in bulk TMDs. The collected information can serve as a reference for future applications.

Physical review. B./Physical review. BVol. 112(24)
Universidad Complutense de Madrid (ES), École Polytechnique (FR), Université Paris-Saclay (FR), Synchrotron soleil (FR), Laboratoire des Solides Irradiés (FR), Centre de Nanosciences et de Nanotechnologies (FR), European Theoretical Spectroscopy Facility (BE), Laboratoire de Physique Théorique de la Matière Condensée (FR), Institut Polytechnique de Paris (FR), Laboratoire de physique de la matière condensée (FR), Union des Industries Ferroviaires Européennes (BE)
Openalex Percentile: Top 67%
2D Materials and Applications
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