journal article·2025-06-18Open access

Signatures of valley drift in the diversified band dispersions of bright, gray, and dark excitons in MoS 2 monolayers under uniaxial strains

Ching-Hung Shih, Guan-Hao Peng, Ping-Yuan Lo, Wei-Hua Li, Mei-Ling Xu, Chao-Hsin Chien, Shun-Jen Cheng

Physical Review B· Volume 111· Issue 24

Abstract

We present a comprehensive theoretical investigation of the strain-modulated excitonic properties of uni-axially strained transition-metal dichalcogenide monolayers (TMD-MLs) by solving the Bethe-Salpeter equation (BSE) established on the basis of first principles. We show that imposing an uni-axial strain onto a MoS_$2$ monolayers leads to the diversified band dispersions of the bright exciton (BX), gray exciton (GX), and dark exciton (DX) states, as a consequence of the competitive interplay between strain-induced valley drift (VD) and momentum-dependent electron-hole exchange interaction (EHEI). While the band dispersions of BX doublet in the light-accessible small reciprocal area remain almost unchanged against strain, the band dispersion of DX is reshaped by an increasing uni-axial strain from a parabola to a Mexican-hat-like profile, featured with unusual sign-reversal of the heavy effective mass and strain-activated brightness. In contrast, the effective mass of GX is drastically lightened by uni-axial strain and remains always positive. We show that the strain-diversified exciton band dispersions leads to the distinct exciton diffusivities and angle-resolved optical patterns of BX, GX, and DX in a strained TMD-ML, suggesting the feasibility of {\it spatially} resolving spinallowed and -forbidden excitons in exciton transport experiments and angle-resolved optical spectroscopies.
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Research context

OpenAlex topics: 2D Materials and Applications · Perovskite Materials and Applications · Ichthyology and Marine Biology

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Affiliations

National Yang Ming Chiao Tung University

Funding

National Science and Technology Council

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