Vibrational Fermi Resonance in Atomically Thin Black Phosphorus

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

doi:10.1021/acs.nanolett.4c03592

Vibrational Fermi Resonance in Atomically Thin Black Phosphorus

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

Nanomaterials Theory Institute

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	12582-12589
Number of pages	8
Journal	Nano Letters
Volume	24
Issue number	40
DOIs	https://doi.org/10.1021/acs.nanolett.4c03592
State	Published - Oct 9 2024

Funding

The authors thank Dr. Yi-yang Sun for helpful discussions on the hybrid functional simulation of the vibrational patterns and Prof. Pablo Jarillo-Herrero, Dr. Ya-Qing Bie, and Dr. Qiong Ma at MIT for the assistance on BP sample preparation and protection. N.M. and J.K. acknowledge the Air Force Office of Scientific Research (AFOSR) Multi-University Research Initiative FA9550-22-1-0166. W.A.T. was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under award number DE-SC0019345. X.L. was supported by the National Science Foundation (NSF) under Grant No. 1945364. A portion of this research (Raman scattering simulations) used resources at the Center for Nanophase Materials Sciences, which is a U.S. Department of Energy Office of Science User Facility. L.L. acknowledges computational resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. We also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. DOE under Contract No. DE-AC02-05CH11231. The views and conclusions contained herein are those of the authors and should not be interpreted as necessarily representing the official policies or endorsements of the US Government.

Keywords

Raman spectroscopy
electrotonic resonance
few-layer black phosphorus
vibrational Fermi resonance

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10.1021/acs.nanolett.4c03592

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title = "Vibrational Fermi Resonance in Atomically Thin Black Phosphorus",

abstract = "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.",

keywords = "Raman spectroscopy, electrotonic resonance, few-layer black phosphorus, vibrational Fermi resonance",

author = "Nannan Mao and Shenyang Huang and \{Pimenta Martins\}, \{Luiz Gustavo\} and Hugen Yan and Xi Ling and Liangbo Liang and Jing Kong and Tisdale, \{William A.\}",

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doi = "10.1021/acs.nanolett.4c03592",

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T1 - Vibrational Fermi Resonance in Atomically Thin Black Phosphorus

AU - Mao, Nannan

AU - Huang, Shenyang

AU - Pimenta Martins, Luiz Gustavo

AU - Yan, Hugen

AU - Ling, Xi

AU - Liang, Liangbo

AU - Kong, Jing

AU - Tisdale, William A.

PY - 2024/10/9

Y1 - 2024/10/9

N2 - 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.

AB - 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.

KW - Raman spectroscopy

KW - electrotonic resonance

KW - few-layer black phosphorus

KW - vibrational Fermi resonance

UR - https://www.scopus.com/pages/publications/85205764206

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DO - 10.1021/acs.nanolett.4c03592

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AN - SCOPUS:85205764206

SN - 1530-6984

VL - 24

SP - 12582

EP - 12589

JO - Nano Letters

JF - Nano Letters

IS - 40

ER -

Vibrational Fermi Resonance in Atomically Thin Black Phosphorus

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