Dresden 2026 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 36: 2D Materials VI – Optoelectronic properties
HL 36.2: Vortrag
Mittwoch, 11. März 2026, 17:45–18:00, POT/0081
Shift current tuned via twisting angle in moiré system — •Michele Bagaglini1,2, Cesare Tresca2, and Gianni Profeta1,2 — 1Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell'Aquila, L'Aquila, Italy — 2CNR-SPIN c/o Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell'Aquila, L'Aquila, Italy
In recent years the interest in the two-dimensional bulk photovoltaic effect (BPVE) has been increasing in non-centrosymmetric materials. Research on 2D solar cells and optoelectronic device is focusing on these materials due to their highly efficient response. The shift current (SC) is one of the most important effect to the BPVE. The SC is second-order non-linear response that arises from the different real-space centres position of charge, a 'shift', between the valence and conduction bands. In the literature, several studies already exist on the SC in monolayer and untwisted bilayer transition-metal dichalcogenide (TMD) systems, where promising peaks have been reported from DFT calculations. In this study we focus on the evolution of the SC with the twisting angle in moiré twisted two-dimensional materials, specifically in multilayer MoS2 systems. In our case, given the large size of the systems for small twist angles, we employ a tight-binding (TB) approach with Slater-Koster (SK) parameterization to compute the SC. We show that a multiband approach improves the accuracy and allows one to reproduce the dispersions obtained from first-principles calculations.
Keywords: shiftcurrent; TMD; MoS2; moiré; tight-binding