Article Dans Une Revue Physical Review B: Condensed Matter and Materials Physics (1998-2015) Année : 2025

Shift current in 2D Janus Transition-Metal Dichalcogenides: the role of excitons

Résumé

We study the shift current in two two-dimensional (2D) Janus transition metal dichalcogenides: molybdenum diselenide (MoSSe) and tungsten diselenide (WSSe). The shift current is evaluated using a real-time approach, in which the coupling with an external field is described in terms of a dynamical Berry phase. This approach incorporates electron-hole interactions and quasiparticle band structure renormalization through an effective Hamiltonian derived from many-body perturbation theory. We find that the shift current is strongly enhanced in correspondence of C excitons. An analysis in terms of the electron-hole pairs reveals that electron and hole are localized on different atoms, and thus following an optical excitation, the center of the electron charge is shifted thus giving rise to a significant photocurrent. These results highlight the role played by excitons in the shift-current response of Janus TMDs and demonstrate that these materials are promising building blocks for future photovoltaic devices.

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hal-05126655 , version 1 (23-06-2025)

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Yuncheng Mao, Ju Zhou, Myrta Grüning, Claudio Attaccalite. Shift current in 2D Janus Transition-Metal Dichalcogenides: the role of excitons. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2025, 9 (12), pp.124002. ⟨10.1103/qth8-6spb⟩. ⟨hal-05126655⟩
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