Benchtop Momentum-Resolved Phonon Spectroscopy: Unlocking Lattice Dynamics via X-ray Diffuse Scattering
Abstract
Momentum-resolved phonon spectroscopy is essential for understanding the thermal, electronic, and structural properties of materials, yet it traditionally necessitates access to large-scale synchrotron or neutron facilities. We report a paradigm shift by demonstrating the accurate measurement and quantitative analysis of Thermal Diffuse Scattering (TDS) patterns using a commercially available benchtop Small/Wide-Angle X-ray Scattering (SAXS/WAXS) instrument. By utilizing a low-energy (8 keV) X-ray source and a custom-integrated vacuum geometry, we acquired characteristic TDS patterns in silicon (111) and (100) slabs. We demonstrate that these benchtop images contain sufficient information to extract interatomic force constants (IFCs) through global optimization algorithms, achieving a fitting accuracy comparable to those obtained from simulated data with statistical noise. Crucially, this capability provides access to phonon information across the entire Brillouin Zone, a critical component of lattice dynamics unavailable via standard laboratory techniques like first-order Raman spectroscopy. This low-barrier approach makes synchrotron-level lattice dynamics characterization accessible to virtually any research laboratory, enabling new avenues for the study of intrinsic strain and anisotropic lattice dynamics in emerging material systems.
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BibTeX
@misc{silva2026benchtop,
title = {{Benchtop Momentum-Resolved Phonon Spectroscopy: Unlocking Lattice Dynamics via X-ray Diffuse Scattering}},
author = {Paulo H. V. da Silva and Tarsis M. Germano and Rafaela F. S. Penacchio and Sergio L. Morelhao},
howpublished = {arXiv},
year = {2026},
month = aug,
doi = {10.48550/arxiv.2608.28759},
eprint = {2608.28759},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2608.28759},
}
RIS
TY - UNPB
TI - Benchtop Momentum-Resolved Phonon Spectroscopy: Unlocking Lattice Dynamics via X-ray Diffuse Scattering
AU - Paulo H. V. da Silva
AU - Tarsis M. Germano
AU - Rafaela F. S. Penacchio
AU - Sergio L. Morelhao
PY - 2026
DA - 2026/08/28
PB - arXiv
DO - 10.48550/arxiv.2608.28759
UR - https://arxiv.org/abs/2608.28759
AB - Momentum-resolved phonon spectroscopy is essential for understanding the thermal, electronic, and structural properties of materials, yet it traditionally necessitates access to large-scale synchrotron or neutron facilities. We report a paradigm shift by demonstrating the accurate measurement and quantitative analysis of Thermal Diffuse Scattering (TDS) patterns using a commercially available benchtop Small/Wide-Angle X-ray Scattering (SAXS/WAXS) instrument. By utilizing a low-energy (8 keV) X-ray source and a custom-integrated vacuum geometry, we acquired characteristic TDS patterns in silicon (111) and (100) slabs. We demonstrate that these benchtop images contain sufficient information to extract interatomic force constants (IFCs) through global optimization algorithms, achieving a fitting accuracy comparable to those obtained from simulated data with statistical noise. Crucially, this capability provides access to phonon information across the entire Brillouin Zone, a critical component of lattice dynamics unavailable via standard laboratory techniques like first-order Raman spectroscopy. This low-barrier approach makes synchrotron-level lattice dynamics characterization accessible to virtually any research laboratory, enabling new avenues for the study of intrinsic strain and anisotropic lattice dynamics in emerging material systems.
ER -