Vibrational Fermi Resonance in Atomically Thin Black Phosphorus

Mao, Nannan; Huang, Shenyang; Pimenta Martins, Luiz Gustavo; Yan, Hugen; Ling, Xi; Liang, Liangbo; Kong, Jing; Tisdale, William A.

doi:10.1021/acs.nanolett.4c03592

Title: Vibrational Fermi Resonance in Atomically Thin Black Phosphorus

Journal Article · 30 September 2024 · Nano Letters

DOI: https://doi.org/10.1021/acs.nanolett.4c03592 · OSTI ID:2474749

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Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Fudan Univ., Shanghai (China)
Boston Univ., MA (United States)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)

Fermi resonance is a phenomenon involving the hybridization of two coincidentally quasi-degenerate states that is observed in the vibrational or electronic spectra of molecules. Despite numerous examples in molecular systems, vibrational Fermi resonances in dispersive semiconducting systems remain largely unexplored due to the rarity of occurrence. Here we report a vibrational Fermi resonance in atomically thin black phosphorus. The Fermi resonance arises via anharmonic mixing of a fundamental Raman mode and a Davydov component of an infrared mode, leading to a doublet with mixed character. The extent of Fermi coupling can be modulated by the application of external biaxial strain. The consequences of Fermi hybridization are revealed by electronic resonance effects in the thickness-dependent and excitation-wavelength-dependent Raman spectrum, which is predicted by ab initio hybrid functional simulations including excitonic interactions. This work reveals new insight into electron–phonon coupling in black phosphorus and demonstrates a novel method for modulating Fermi resonances in 2D semiconductors.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Ofice of Science (SC), Basic Energy Sciences (BES); US Air Force Office of Scientific Research (AFOSR); National Science Foundation (NSF)

Grant/Contract Number:: AC05-00OR22725; AC02-05CH11231; SC0019345

OSTI ID:: 2474749

Journal Information:: Nano Letters, Journal Name: Nano Letters Journal Issue: 40 Vol. 24; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Vibrational Fermi Resonance in Atomically Thin Black Phosphorus

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