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Multifield-resolved phonon spectrometrics: structured crystals and liquids
- Source :
- Progress in Solid State Chemistry. 55:20-66
- Publication Year :
- 2019
- Publisher :
- Elsevier BV, 2019.
-
Abstract
- Bond relaxation from one equilibrium to another under perturbation matters uniquely the performance of a substance and thus it has enormous impact to materials science and engineering. However, the basic rules for the perturbation-bond-property correlation and efficient probing strategies for high-resolution detection stay yet great challenge. This treatise features recent progress in this regard with focus on the multifield bond oscillation notion and the theory-enabled phonon spectrometrics. From the perspective of Fourier transformation and the Taylor series of the potentials, we correlate the phonon spectral signatures directly to the transition of the characteristic bonds in terms of stiffness (frequency shift), number fraction (integral of the differential spectral peak), structure fluctuation (linewidth), and the macroscopic properties of the substance. A systematic examination of the spectral feature evolution for group IV, III-V, II-VI crystals, layered graphene nanoribbons, black phosphor, (W, Mo)(S2, Se2) flakes, typical nanocrystals, and liquid water and aqueous solutions under perturbation has enabled the ever-unexpected information on the perturbation-bond-property regulations. Consistency between predictions and measurements of the crystal size-resolved phonon frequency shift clarifies that atomic dimer oscillation dictates the vibration modes showing blueshift while the collective vibration of oscillators formed between a certain atom and its nearest neighbors governs the modes of redshift when the sample size is reduced. Theoretical matching to the phonon frequency shift due to atomic undercoordination, mechanical and thermal activation, and aqueous charge injection by solvation has been realized. The reproduction of experimental measurements has turned out quantitative information of bond length, bond energy, single bond force constant, binding energy density, vibration mode activation energy, Debye temperature, elastic modulus, and the number and stiffness transition of bonds from the mode of references to the conditioned upon perturbation. Findings prove not only the essentiality of the multifield lattice oscillating dynamics but also the immense power of the phonon spectrometrics in revealing the bond-phonon-property correlation of solid and liquid substance.
- Subjects :
- Materials science
Condensed matter physics
Phonon
Oscillation
Binding energy
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
Condensed Matter Physics
01 natural sciences
0104 chemical sciences
Bond length
symbols.namesake
Normal mode
symbols
Single bond
General Materials Science
Physical and Theoretical Chemistry
Bond energy
0210 nano-technology
Debye model
Subjects
Details
- ISSN :
- 00796786
- Volume :
- 55
- Database :
- OpenAIRE
- Journal :
- Progress in Solid State Chemistry
- Accession number :
- edsair.doi...........1d930462282087bc1a8aee8f90328d91