The problem of finding various discrete breathers (DBs) in the β-Fermi-Pasta-Ulam-Tsingou simple cubic lattice is addressed. DBs are obtained by imposing localizing functions on delocalized nonlinear vibrational modes (DNVMs) having frequencies above the phonon spectrum of the lattice. Among 27 DNVMs with the wave vector at the boundary of the first Brillouin zone there are three satisfying this condition. Seven robust DBs of different symmetries are found using this approach.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1103/PhysRevE.109.014215 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Electronic, structural and nonlinear optical investigation of manganese carbonyl complexes of isatin derivatives by DFT.
J Mol Model
December 2024
Department of Chemistry, Faculty of Science, Ege University, TR-35100, Bornova, Izmir, Türkiye.
Context: Isatin-Schiff bases have wide applications in chemistry. The π conjugated electronic system and heterocylic structure of these materials make them valuable for use as photosensitized materials. The delocalization of π-electrons throughout the structure causes the UV-vis absorption spectra to shift to longer wavelengths.
View Article and Find Full Text PDFEnhancing cooperativity of molecular J-aggregates by resonantly coupled dielectric metasurfaces.
Nanophotonics
August 2024
Centre for Disruptive Photonic Technologies, The Photonics Institute, Nanyang Technological University, Singapore 637371, Singapore.
Article Synopsis
- J-aggregates are assemblies of dyes that exhibit strong light absorption and fluorescence due to delocalized excitons, but their effectiveness is limited by local disorder and thermal decoherence.
- To enhance exciton coherence and delocalization, researchers coupled ordered molecular dipoles to an electromagnetic mode within an optical resonator.
- By using dielectric metasurfaces, the study achieved a 5-fold increase in luminescence intensity and reduced emission directivity, showcasing the potential of these surfaces in promoting cooperative behaviors in excitonic systems.
A Porphyrin-Based MOF Thin Film with Oriented Nanosheet Arrays for Optimizing a Nonlinear Optical Response.
Inorg Chem
November 2024
College of Materials and Chemical Engineering, Minjiang University, Fuzhou 350108, Fujian, P. R. China.
Developing two-dimensional (2D) hybrid nanosheet arrays integrating inorganic and organic components is highly significant for third-order nonlinear optical (NLO) applications. Herein, an oriented 2D porphyrin-based MOF (ZnTPyP(Co)) thin film composed of vertically stacked ultrathin nanosheets was fabricated via the liquid-phase epitaxial (LPE) layer-by-layer (LBL) method. The prepared ZnTPyP(Co) thin film exhibits an outstanding third-order NLO response with a high third-order nonlinear susceptibility of ∼2.
View Article and Find Full Text PDFTheoretical investigation on the surrounding effects of second-order nonlinear properties for (N^C^N)Pt(II)Cl complexes.
Spectrochim Acta A Mol Biomol Spectrosc
February 2025
Department of Chemistry and Chemical Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, China; Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials, Beijing 100083, China. Electronic address:
Pt(II) complexes are widely used as nonlinear optical (NLO) materials. The geometric and electronic structures, second-order NLO property and UV-Vis absorption spectra of (N^C^N)Pt(II)Cl complexes (1-4) N^C^N binding by central benzene and two lateral N-heterocycles) are evaluated by density functional theory (DFT) and time-dependent DFT calculations. The detailed environmental effect of total first hyperpolarizability (β) in the solution and crystal phases is simulated by polarized continuum model (PCM) and quantum mechanics/molecular mechanics (QM/MM) method, respectively.
View Article and Find Full Text PDFElevating Nonlinear Optical Response Through D-Electron Modulation in Metal-Organic Frameworks.
Chemistry
October 2024
Institutes of Physical Science and Information Technology, Faculty of Materials Science and Engineering, School of Chemistry and Chemical Engineering, School of Life Sciences, Key Laboratory of Structure and Functional Regulation of Hybrid Materials, Ministry of Education, Anhui University, Hefei, 230601, P. R. China.
Electronic structure and excited state behavior is of pronounced influence on regulation of nonlinear optical (NLO) response. Herein, a serials of transition metal ions bearing different d-electron numbers were in situ coordinated within porphyrinic metal-organic frameworks (MOFs), creating NLO-responsive M-metal (metal=Fe, Co, Ni, Cu, and Zn) frameworks. It demonstrated that the NLO properties can be optimized with the increased occupancy of the d-shell, which enhances the degree of delocalization.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!