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Optical Absorption in Indirect Semiconductor to Semimetal PtSe_{2} Arises from Direct Transitions
Marin Tharrault1, Sabrine Ayari1,2, Mehdi Arfaoui3
1Laboratoire de Physique de l'Ecole normale supérieure, ENS, Université PSL, CNRS, Sorbonne Université, Université de Paris, 24 rue Lhomond, 75005 Paris, France.
Abstract:
PtSe_{2} is a van der Waals material transitioning from an indirect band gap semiconductor to a semimetal with increasing thickness. Its absorption threshold has been conjectured to originate from interband indirect transitions. By quantitative comparison between broadband (0.8-3.0 eV) optical absorption of high-quality exfoliated crystals and DFT ab initio simulations, we prove instead that the optical absorption arises only from direct transitions. This understanding allows us to shed light on the semiconductor-to-semimetal transition in an emblematic strongly thickness-dependent 2D material, and to explore the effect of stacking and excitons on the optical absorption.
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