A fundamental task of statistical physics is to start with a microscopic Hamiltonian, predict the system's statistical properties and compare them with observable data. A notable current fundamental challenge is to tell whether and how an interacting Hamiltonian predicts different energy spectra, including solid, liquid and gas phases. Here, we propose a new idea that enables a unified description of all three states of matter. We introduce a generic form of an interacting phonon Hamiltonian with ground state configurations minimising the potential. Symmetry breaking SO(3) to SO(2), from the group of rotations in reciprocal space to its subgroup, leads to emergence of energy gaps of shear excitations as a consequence of the Goldstone theorem, and readily results in the emergence of energy spectra of solid, liquid and gas phases.
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http://dx.doi.org/10.1038/srep02794 | DOI Listing |
Langmuir
January 2025
Cain Department of Chemical Engineering, Louisiana State University, Baton Rouge, Louisiana 70803, United States.
The self-assembly of nanoparticle colloids into large-area monolayers with long-range order is a grand challenge in nanotechnology. Using acoustic energy, i.e.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
January 2025
Key Laboratory of High-temperature and High-pressure Study of the Earth's Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550081 Guizhou, China. Electronic address:
High-pressure and high-temperature Raman spectra of natural pyromorphite, vanadinite and mimetite were measured up to 11 GPa and 973 K, respectively. No phase transition was observed within the temperature and pressure ranges in this study. Raman modes for pyromorphite, vanadinite and mimetite vary with temperature or pressure linearly.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA.
Time-resolved spectroscopy is an important tool for probing photochemically induced nonequilibrium dynamics and energy transfer. Herein, a method is developed for the ab initio simulation of vibronic spectra and dynamical processes. This framework utilizes the recently developed nuclear-electronic orbital time-dependent configuration interaction (NEO-TDCI) approach, which treats all electrons and specified nuclei quantum mechanically on the same footing.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Jilin University, State Key Laboratory of Supramolecular Structure and Materials, 2699 Qianjin Street, 130012, Changchun, CHINA.
To date, few systematic approach has been established for predicting catalytic performance by analyzing the spectral information of molecules adsorbed on photocatalyst surfaces. Effective charge transfer (CT) between the semiconductor photocatalysts and surface-absorbed molecules is essential for enhancing catalytic activity and optimizing light energy utilization. This study aimed to validate the surface-enhanced Raman spectroscopy (SERS) based on the CT enhancement mechanism in investigating the CT process during semiconductor photocatalytic C-C coupling model reactions.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Physics and Astronomy & Wright Center for Photovoltaic Innovation and Commercialization, The University of Toledo, Toledo, Ohio 43606, United States.
Wide band gap FACsPb(IBr) perovskite photovoltaic (PV) devices are measured by spectroscopic ellipsometry in the through-the-glass configuration and analyzed to determine the complex optical property spectra of the perovskite absorber as well as the structural properties of all constituent layers. This information is used to simulate external quantum efficiency (EQE) spectra, to calculate PV device performance parameters such as short circuit current density, open circuit voltage, fill factor, and power conversion efficiency, and to develop strategies for increasing the accuracy of predictions. Simulations and calculations tend to overestimate PV device performance parameters, undermining the accuracy and usefulness of those simulations.
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