Phase reconstruction and causality in nano-FTIR signals based on the finite dipole model with Kramers–Kronig relations

Fourier-transform infrared nanospectroscopy (nano-FTIR), a technique based on scattering-type scanning near-field optical microscopy (s-SNOM), enables the characterization of materials’ vibrational properties with nanometric spatial resolution. This capability arises from highly confined broadband infrared radiation near the curvature apex of a metallic tip, allowing the detection of amplitude and phase signals associated with the local tip–sample interaction. Consequently, the physical interpretation of s-SNOM and nano-FTIR signals critically relies on understanding the tip–sample interaction. Theoretical models, such as the Finite Dipole Model (FDM), have provided valuable insights into this interaction, offering analytical formulations for the near-field amplitude response. However, the phase signal, often associated with infrared absorptive contributions in weak oscillator regimes, remains less direct from a theoretical standpoint. To address this issue, we explore a method based on the Kramers–Kronig relations (KKR) within the FDM framework, yielding analytical approximations for normalized amplitude–phase relations that agree well with simulated data under the assumptions considered. Furthermore, the proposed method is consistent with the causality requirements imposed by the KKR. This relation allows the reconstruction of the normalized phase from normalized amplitude data within the FDM approximation, providing an additional physical interpretation in terms of complex polarizability. To evaluate the FDM–KKR framework, we reconstructed the normalized phase and normalized amplitude of the effective polarizability of the PMMA polymer in simulated spectra. Our findings indicate that the proposed FDM–KKR framework offers a complementary, self-consistent analytical approach for interpreting normalized near-field optical signals in terms of measurable quantities, thereby bridging analytical modeling and experimental observations.

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Journal
Scientific Reports
Published
2026-07-26
DOI
https://doi.org/10.1038/s41598-026-63501-3
Primary Topic
Near-Field Optical Microscopy
Type
article
Field-Weighted Citation Impact
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article

Phase reconstruction and causality in nano-FTIR signals based on the finite dipole model with Kramers–Kronig relations

Alexandre Mello, Francisco С. B. Maia, Alexandre Rossi, Elvis O. López et al.
Scientific Reports
Near-Field Optical Microscopy
article

Phase reconstruction and causality in nano-FTIR signals based on the finite dipole model with Kramers–Kronig relations

Alexandre Mello, Francisco С. B. Maia, Alexandre Rossi, Elvis O. López, Edher Z. Herrera, André L. Rossi, Alex Matos da Silva Costa, R. Soria-Martínez
article en

Abstract

Fourier-transform infrared nanospectroscopy (nano-FTIR), a technique based on scattering-type scanning near-field optical microscopy (s-SNOM), enables the characterization of materials’ vibrational properties with nanometric spatial resolution. This capability arises from highly confined broadband infrared radiation near the curvature apex of a metallic tip, allowing the detection of amplitude and phase signals associated with the local tip–sample interaction. Consequently, the physical interpretation of s-SNOM and nano-FTIR signals critically relies on understanding the tip–sample interaction. Theoretical models, such as the Finite Dipole Model (FDM), have provided valuable insights into this interaction, offering analytical formulations for the near-field amplitude response. However, the phase signal, often associated with infrared absorptive contributions in weak oscillator regimes, remains less direct from a theoretical standpoint. To address this issue, we explore a method based on the Kramers–Kronig relations (KKR) within the FDM framework, yielding analytical approximations for normalized amplitude–phase relations that agree well with simulated data under the assumptions considered. Furthermore, the proposed method is consistent with the causality requirements imposed by the KKR. This relation allows the reconstruction of the normalized phase from normalized amplitude data within the FDM approximation, providing an additional physical interpretation in terms of complex polarizability. To evaluate the FDM–KKR framework, we reconstructed the normalized phase and normalized amplitude of the effective polarizability of the PMMA polymer in simulated spectra. Our findings indicate that the proposed FDM–KKR framework offers a complementary, self-consistent analytical approach for interpreting normalized near-field optical signals in terms of measurable quantities, thereby bridging analytical modeling and experimental observations.

Scientific Reports
Universidade Federal do Rio de Janeiro (BR), Centre National de la Recherche Scientifique (FR), Laboratoire de Chimie Moléculaire (FR), Brazilian Synchrotron Light Laboratory (BR), Centro Brasileiro de Pesquisas Físicas (BR), Brazilian Center for Research in Energy and Materials (BR), Universidad Nacional de Asunción (PY), Université de Lorraine (FR)
Fundação de Amparo à Pesquisa do Estado de São Paulo, Consejo Nacional de Ciencia y Tecnología, Conselho Nacional de Desenvolvimento Científico e Tecnológico, Centro Nacional de Pesquisa em Energia e Materiais, Laboratório Nacional de Luz Síncrotron
Openalex Percentile: Top 16%
Near-Field Optical Microscopy
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