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Electron-Phonon Coupling in High-TC Superconductors
For a long time the majority opinion on the role of phonons in the mechanism of high-temperature superconductivity has been that it is either...
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Spin-Phonon Relaxation in Magnetic Molecules: Theory, Predictions and Insights
Magnetic molecules have played a central role in the development of magnetism and coordination chemistry, and their study keeps leading innovation in...
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Modeling nanostructure thermal conductivity: effect of phonon distribution function
In this study, the lattice thermal conductivity of nanostructure material is demonstrated using the non-equilibrium phonon distribution function to...
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Correlate phonon modes with ion transport via isotope substitution
Understanding the correlations between lattice dynamics (phonons) and ion transport is important for improving the ionic conductivity of solid-state...
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DFT exploration of the electronic, optical, phonon and thermoelectrical performances of bulk and monolayered AuCN
Recent nanoscience and technology are rapidly progressing with both experimental and theoretical surveys to discover and propose new materials in the...
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Photoluminescent and multi-phonon resonance Raman scattering dual-mode immunoassays based on CdS nanoparticles for HIgG detection
A dual-mode immunoassay strategy based on CdS nanoparticles as signal probes with both of photoluminescent (PL) and multi-phonon resonance Raman...
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Surface Phonon Resonance Assisted Refractive Index Sensing in Mid-Infrared Wavelength Range
We propose a highly sensitive refractive index sensor based on the surface phonon resonance (SPhR) in the mid-IR spectral range. Surface phonon...
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Enhancing the Thermoelectric Performance of Cu2S/CuO Nanocomposites Through Energy-Filtering effect and Phonon Scattering
Recently, thermoelectric (TE) materials have seized great attention for their role in clean energy conversion applications. Cu 2 S are p-type...
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Formulation of a phonon band calculation for molecular crystals using a coarse-grained coordinate approach under periodic boundary conditions
A phonon band calculation scheme based on our previously proposed coarse-graining theory under periodic boundary conditions was formulated. Starting...
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Vacancy and phonon dispersion properties of Be, Co, Hf, Mg, and Re by modified embedded atom method potentials
The modified embedded atom method (MEAM) potentials improved by ** et al. (Appl. Phys. A120 (2015), p. 189) were applied to calculate the mono- and...
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Density functional theory study on the influence of tension and compression deformation on the electrical and phonon properties of monolayer and bilayer graphene
Based on first-principles calculations using density functional theory, this paper systematically studies the effects of uniaxial tension-compression...
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Structural, Phonon, Electronic and Thermoelectric Properties of Zr0.25Ti0.75GeSb
AbstractThis paper explores structural, phonon, electronic and thermoelectric properties of Zr 0.25 Ti 0.75 GeSb. By do** 0.25 Zr to TiGeSb the space...
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The Effects of Pseudomagnetic Fields on Plasmon–Phonon Hybridization in Supported Graphene Probed by a Moving Charged Particle
We analyze the effects of the strain-induced pseudomagnetic field on the subthreshold mechanism of hybridization taking place between the Dirac...
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Plasmon-Phonon-Polaritons in Encapsulated Phosphorene
We consider a system consists of a doped monolayer phosphorene embedded between two hexagonal boron nitride (hBN) slabs along the heterostructure...
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Study of Lattice Dynamics of the Graphene Along Highly Symmetry Directions
Graphene is a two-dimensional material that has successfully been separated into single- or few-layer sheets from bulk graphite. The graphene...
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Study on phonon spectra and heat capacities of CL-20/MTNP cocrystal and co-formers by density functional theory method
The phonon spectra and heat capacities of 2, 4, 6, 8, 10, 12-hexanitrohexaazaisowurtzitane/1-methyl-3, 4, 5-trinitropyrazole (CL-20/MTNP) cocrystal...
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Study of the relationship between pressure and sensitivity of energetic materials based on first-principles calculation
ContextIn order to study the relationship between the sensitivity and pressure of energetic materials, six kinds of energetic materials were selected...
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On the thermal properties of pure and defective Ψ-graphene nanotubes by molecular dynamics simulations
The effect of defects on the thermal properties of Ψ-Graphene Nanotubes (Ψ-GNTs) is investigated in this study using Molecular Dynamics simulations....
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Superconductivity in Alkali-Doped Fullerides
Alkali-doped fullerides differ in important respects from conventional superconductors. In the latter ωph ≪ W, where ωph and W are the phononic and...
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Strain-induced modification in thermal properties of monolayer 1 T-ZrS2 and ZrS2/ZrSe2 heterojunction
ContextThis paper systematically analyzes the phonon dispersion curves of single-layer ZrS 2 , ZrSe 2 , and ZrS 2 /ZrSe 2 heterostructures under different...
