Search results for "Molecular vibration"
showing 10 items of 112 documents
Vibrational modes and strain in GaN/AlN quantum dot stacks: dependence on spacer thickness
2007
We have investigated the influence of spacer thickness on the vibrational and strain characteristics of GaN/AlN quantum dot multilayers (QD). The Raman shift corresponding to the E2h vibrational mode related to the QDs has been analyzed for AlN thicknesses ranging from 4.4 nm to 13 nm, while the amount of GaN deposited in each layer remained constant from sample to sample. It is shown that there is a rapid blue shift of the GaN vibrational mode with spacer thickness when its value is smaller than 7 nm while it remains almost constant for thicker spacers. A rapid increase of the Raman line-width in the thicker samples is also observed. The experimental behavior is discussed in comparison wit…
Influence of external stretching on hydrogen electromigration in Pd and PdCu, PdAg alloys
2005
Influence of external stretching of Pd and Pd77Cu23 and Pd77Ag23 alloys on hydrogen electromigration in these systems was investigated. The electro-resistivity method was applied in the investigations. It was found that in order to furnish a full description of the kinetics and dynamics transport of hydrogen in the externally applied electric field to samples in the state of elastic and plastic stretching, it is not sufficient to provide a functional dependence of two commonly used parameters (diffusion coefficient D and effective valence Zeff) on degree of deformation. To describe the electromigration in these conditions a mathematical model was applied, which assumes the existence of two …
Acousto-plasmonic coupling in engineered metal nanocomposites
2010
This work shows the production of self-assembled elongated nano-objects embedded in an oxide host oriented perpendicular to the substrate and their acousto-plasmonic dynamics. Electromagnetic “hot spots” are created that activate anomalous Raman vibrational modes.
Acoustic vibrations of embedded spherical nanoparticles
2005
Abstract A solid-matrix-embedded spherical nanoparticle has acoustic vibrational frequencies which are shifted and damped relative to modes of a free sphere. Not only the longitudinal plane wave acoustic impedances, but also the Poisson ratios of nanoparticle and matrix are important in determining the Q-factor of the “breathing” mode, for which frequencies and Q-factors with different material combinations are presented. High matrix sound speed (e.g. silica, titania, alumina, diamond) increases Q.
Vibrational characterization of the 1:1 iodine-benzene complex isolated in solid krypton.
2008
The structure and properties of a 1:1 iodine-benzene complex isolated in an inert krypton matrix at low temperature have been studied with infrared and resonance Raman spectroscopy and with MP2 calculations. The structure of the ground-state complex is found to be unsymmetric, and the I-I vibrational frequency is found to be red-shifted by 3.94 cm(-1) upon complexation. The experimental data agree well with computational results, leading to the conclusion that the I2-Bz complex structure is not axial but of above-bond type, identically with other halogen-benzene complexes.
Theoretical and Experimental Study of the Crystal Structures, Lattice Vibrations, and Band Structures of Monazite-Type PbCrO4, PbSeO4, SrCrO4, and Sr…
2015
The crystal structures, lattice vibrations, and electronic band structures of PbCrO4, PbSeO4, SrCrO4, and SrSeO4 were studied by ab initio calculations, Raman spectroscopy, X-ray diffraction, and optical-absorption measurements. Calculations properly describe the crystal structures of the four compounds, which are isomorphic to the monazite structure and were confirmed by X-ray diffraction. Information is also obtained on the Raman- and IR-active phonons, with all of the vibrational modes assigned. In addition, the band structures and electronic densities of states of the four compounds were determined. All are indirect-gap semiconductors. In particular, chromates are found to have band gap…
Surface plasmons and vibrations of self-assembled silver nanocolumns
2006
6 pags. ; 5 figs. 1 tab.
Vibrational spectrum of the spin crossover complex [Fe(phen)(2)(NCS)(2)] studied by IR and Raman spectroscopy, nuclear inelastic scattering and DFT c…
2006
The vibrational modes of the low-spin and high-spin isomers of the spin crossover complex [Fe(phen)(2)(NCS)(2)] (phen = 1,10-phenanthroline) have been measured by IR and Raman spectroscopy and by nuclear inelastic scattering. The vibrational frequencies and normal modes and the IR and Raman intensities have been calculated by density functional methods. The vibrational entropy difference between the two isomers, DeltaS(vib), which is--together with the electronic entropy difference DeltaS(el)--the driving force for the spin-transition, has been determined from the measured and from the calculated frequencies. The calculated difference (DeltaS(vib) = 57-70 J mol(-1) K(-1), depending on the m…
Different relaxations in myoglobin after photolysis
2004
To clarify the interplay of kinetic hole-burning (KHB), structural relaxation, and ligand migration in myoglobin (Mb), we measured time-resolved absorption spectra in the Soret region after photolysis of carbon monoxide Mb (MbCO) in the temperature interval 120-260 K and in the time window 350 ns to 200 ms. The spectral contributions of both photolyzed (Mb * ) and liganded Mb (MbCO) have been analyzed by taking into account homogeneous bandwidth, coupling to vibrational modes, and static conformational heterogeneity. We succeeded in separating the “time-dependent” spectral changes, and this work provides possibilities to identify the events in the process of ligand rebinding. KHB is domina…
Spectral broadening of the Soret band in myoglobin: an interpretation by the full spectrum of low-frequency modes from a normal modes analysis.
2005
In this work the temperature dependence of the Soret band line shape in carbon-monoxy myoglobin is re-analyzed by using both the full correlator approach in the time domain and the frequency domain approach. The new analyses exploit the full density of vibrational states of carbon-monoxy myoglobin available from normal modes analysis, and avoid the artificial division of the entire set of vibrational modes coupled to the Soret transition into "high-frequency" and "low-frequency" subsets; the frequency domain analysis, however, makes use of the so-called short-times approximation, while the time domain one avoids it. Time domain and frequency domain analyses give very similar results, thus s…