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A. L. Vartanian M. A. Yeranosian A. A. Kirakosyan 《Journal of Contemporary Physics (Armenian Academy of Sciences)》2007,42(6):230-234
Within the framework of the Li-Low-Pines model the interaction of a Wannier-Mott exciton with polar optical phonons in a cylindrical semiconductor wire is studied, taking into account the phonon confinement effect. An analytical expression for the exciton binding energy with allowance for the polaronic effect is obtained. Numerical calculations of the binding energy are carried out for AlAs/GaAs/AlAs and ZnSe/CdSe/ZnSe wires with a various degree of polarity of quantum wire materials. The polaronic shift of the binding energy of light and heavy hole excitons is calculated. 相似文献
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MgO doped lithium alumino phosphate glasses (PLA: P2O5+Li2O+Al2O3+MgO) were prepared by melt quenching technique. Raman spectra display three significant peaks at 698, 1164 and 1383 cm−1 attributed to: symmetric stretching vibrations of the bridging oxygen (BO) in the P–O–P chains, symmetric stretching vibrations of the PO2 groups, and the asymmetric vibrations vas(PO2) of the non-bridging oxygen (NBO) atoms, respectively. Also, the density, molar volumes and ion concentration have been discussed and correlated with the structural changes within the glassy matrix. Some optical constants such as refractive index and dispersion parameters (Eo: single-oscillator energy and Ed: dispersive energy) of the glasses were determined. Finally, the values of the optical band gap for direct and indirect allowed transitions have been determined from the absorption edge studies. It is deduced that the values of Eopt increase with increasing MgO content. It was assigned to structural changes induced from the formation of non-bridging oxygen. The Urbach energy (ΔE) was found to decrease from 0.578 to 0.339 eV with increasing MgO content from 0.5 to 2 mol. 相似文献
148.
Luciano A. Leal Wiliam F. da Cunha Luiz F. Roncaratti Geraldo M. e Silva 《Molecular physics》2016,114(3-4):440-445
ABSTRACTBased on ab initio calculations, our research group has built an analytical ground-state potential energy surface (PES) for hydrogen peroxide– noble gas (Ng) interactions, such as H2O2–He, H2O2–Ne, H2O2–Ar, H2O2–Kr, and H2O2–Xe complexes. From this PES, it was verified that the Ng presence does not affect the equilibrium values of the H2O2 dihedral angles. This happens because the H2O2 intramolecular barriers have much higher energies than the atom–bond interaction within these complexes. From this point of view, it is indeed reasonable to consider the H2O2 system as a rigid rotor, frozen at its equilibrium configuration. We present in this work the torsional motion for the H2O2 isolated system, the vibration–rotation energy levels and spectroscopic constants for hydrogen peroxide–noble gas by using the aforementioned PES. The predicted H2O2 torsional motions are in good agreement with both theoretical and experimental results available in the literature. Regarding H2O2–Ng ro-vibrational energies and spectroscopic constants, it is the first time that these calculations are presented in the literature. The current theoretical predictions are expected to be useful in the future experimental investigations. 相似文献
149.
U.W. Pohl R. Seguin S. Rodt A. Schliwa K. Ptschke D. Bimberg 《Physica E: Low-dimensional Systems and Nanostructures》2006,35(2):285
A systematic dependence of excitonic properties on the size of self-organized InAs/GaAs quantum dots is presented. The bright exciton fine-structure splitting changes from negative values to more than 0.5 meV, and the biexciton binding energy varies from antibinding to binding, as the height of truncated pyramidal dots increases from 2 to above 9 InAs monolayers. A novel mode of metalorganic vapor phase epitaxy was developed for growing such quantum dots with precise shape control. The dots consist of pure InAs and feature heights varying in steps of complete InAs monolayers. Such dot ensembles evolve from a strained, rough two-dimensional layer with a thickness close to the critical value for the onset of the 2D–3D transition. Dots with a common height represent subensembles with small inhomogeneous broadening. Tuning of subensemble emission energy is achieved by varying the mean lateral extension of the respective QDs. Detailed knowledge of the structural properties of individual dots enable realistic k·p calculations to analyze the origin of the observed excitonic properties. The binding energies of charged and neutral excitons increase due to correlation by the gradually increasing number of bound states for increasing dot size. The monotonously increasing magnitude of the fine-structure splitting with dot size is shown to be caused by piezoelectricity. The identification of key parameters allows to tailor exciton properties, providing a major step towards the development of novel applications. 相似文献
150.
Sergei V. Shirin Oleg L. Polyansky Nikolai F. Zobov Roman I. Ovsyannikov Jonathan Tennyson 《Journal of Molecular Spectroscopy》2006,236(2):216-223
Adiabatic potential energy surfaces (PESs) for three major isotopologues of water, H216O, H217O, and H218O, are constructed by fitting to observed vibration-rotation energy levels of the system using the nuclear motion program DVR3D employing an exact kinetic energy operator. Extensive tests show that the mass-dependent ab initio surfaces due to Polyansky et al. [O.L. Polyansky, A.G. Császár, S.V. Shirin, N.F. Zobov, P. Barletta, J. Tennyson, D.W. Schwenke, P.J. Knowles, Science 299 (2003) 539-542.] provide an excellent starting point for the fits. The refinements are performed using a mass-independent morphing function, which smoothly distorts the original adiabatic ab initio PESs. The best overall fit is based on 1788 experimental energy levels with the rotational quantum number J = 0, 2, and 5. It reproduces these levels with a standard deviation of 0.079 cm−1 and gives, when explicit allowance is made for nonadiabatic rotational effects, excellent predictions for levels up to J = 40. Theoretical linelists for all three isotopologues of water involved in the PES construction were calculated up to 26 000 cm−1 with energy levels up to J = 10. These linelists should make an excellent starting point for spectroscopic modelling and analysis. 相似文献