259 resultados para quantum chemical calculations


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The electronic structure and optical properties of freestanding GaN wurtzite quantum wires are studied in the framework of six-band effective-mass envelope function theory. It is found that the electron states are either twofold or fourfold degenerate. There is a dark exciton effect when the radius R of GaN wurtzite quantum wires is in the range of [0.7, 10.9] nm. The linear polarization factors are calculated in three cases, the quantum confinement effect (finite long wire), the dielectric effect and both effects (infinitely long wire). It is found that the linear polarization factor of a finite long wire whose length is much less than the electromagnetic wavelength decreases as R increases, is very close to unity (0.979) at R = I nm, and changes from a positive value to a negative value around R = 4.1 nm. The linear polarization factor of the dielectric effect is 0.934, independent of radius, as long as the radius remains much less than the electromagnetic wavelength. The result for the two effects shows that the quantum confinement effect gives a correction to the dielectric effect result. It is found that the linear polarization factor of very long (treated approximately as infinitely long) quantum wires is in the range of [0.8, 1]. The linear polarization factors of the quantum confinement effect of CdSe wurtzite quantum wires are calculated for comparison. In the CdSe case, the linear polarization factor of R = I nm is 0.857, in agreement with the experimental results (Hu et al 2001 Science 292 2060). This value is much smaller than unity, unlike 0.979 in the GaN case, mainly due to the big spin-orbit splitting energy Delta(so) of CdSe material with wurtzite structure.

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Magnetophotoluminescence properties of Zn0.88Mn0.12Se thin films grown by metal-organic chemical vapor deposition on GaAs substrates are investigated in fields up to 10 T. The linewidth of the excitonic luminescence peaks decreases with the increasing magnetic field (< 1 T), but the peak energy is almost unchanged. There is a crossover of the photoluminescence intensities between interband and bound excitonic transitions as the magnetic field is increased to about 1 T. These behaviors are interpreted by the strong tuning of the local alloy disorder potential by the applied magnetic field. In addition, the magnetic field-induced suppression of the energy transfers from excitons to Mn2+ ions is also observed.

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1.5 mu m n-type InGaAsP/InGaAsP modulation-doped multiple quantum well (MD-MQW) DFB lasers have been fabricated successfully by low pressure metal organic chemical vapour deposition (LP-MOCVD) technology. The experimental results indicate that n-type MD-MQWs can effectively reduce the threshold Current compared with conventional multiple quantum well DFB lasers. Theoretical analysis indicates that such an effect is due to the much smaller absorption loss and lower Auger recombination, compared with that in an undoped MQW structure. Moreover, the introduction of n-type dopant of suitable levels of concentration in the barrier layers enhances the dynamic characteristics of DFB lasers, due to a coupling between the adjacent quantum well layers and tunnelling-assisted injection, which can reduce the relatively long capture time and increase the effective differential gain 1/X dG/dn .

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Both cracked and crack-free GaN/Al0.55Ga0.45N multiple quantum wells (MQWs) grown on GaN template by metalorganic chemical vapor deposition have been studied by triple-axis X-ray diffraction, grazing-incidence X-ray reflectivity, atomic force microscope, photoluminescence spectroscopy and low-energy positron annihilation spectroscopy. The experimental results show that cracks generation not only deteriorates the surface morphology, but also leads to a period dispersion and roughens the interfaces of MQWs. The mean density of dislocations in MQWs, determined from the average full-width at half-maximum of to-scan of each satellite peak, has been significantly enhanced by the cracks generation. Furthermore, the measurement of annihilation-line Doppler broadening reveals a higher concentration of negatively charged vacancies in the cracked MQWs. The combination of these vacancies and the high density of edge dislocations are assumed to contribute to the highly enhanced yellow luminescence in the cracked sample. (c) 2005 Elsevier B.V. All rights reserved.

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In recent years, growth of GaN-based materials-related quantum dots has become a hot topic in semiconductor materials research. Considerable efforts have been devoted to growth of self-assembled quantum dots of GaN-based materials via MOCVD (Metal Organic Chemical Vapor Deposition) and there are a lot of relevant literatures. There is, however, few review papers for the topic. In this paper, different experimental methods for fabrication of quantum dots of GaN-based materials via MOCVD are critically reviewed and the experimental conditions and parameters, which may affect growth of the quantum dots, are analyzed, with an aim at providing some critical reference for the related future experiment research.

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A model for scattering due to interface roughness in finite quantum wells (QWs) is developed within the framework of the Boltzmann transport equation and a simple and explicit expression between mobility limited by interface roughness scattering and barrier height is obtained. The main advantage of our model is that it does not involve complicated wavefunction calculations, and thus it is convenient for predicting the mobility in thin finite QWs. It is found that the mobility limited by interface roughness is one order of amplitude higher than the results derived by assuming an infinite barrier, for finite barrier height QWs where x = 0.3. The mobility first decreases and then flattens out as the barrier confinement increases. The experimental results may be explained with monolayers of asperity height 1-2, and a correlation length of about 33 angstrom. The calculation results are in excellent agreement with the experimental data from AlxGa1-xAs/GaAs QWs.

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We report the transmission-electron microscopy study of the defects in wurtzitic GaN films grown on Si(111) substrates with AIN buffer layers by the metal-organic chemical vapour deposition method. The In0.1Ga0.9N/GaN multiple quantum well (MQW) reduced the dislocation density by obstructing the mixed and screw dislocations passing through the MQW. No evident reduction of the edge dislocations density by the MQW was observed. It was found that dislocations with screw component can be located at the boundaries of sub-grains slightly in-plane misoriented.

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We report the transmission electron microscopy (TEM) study of the microstructure of wurtzitic GaN films grown on Si(I I I) substrates with AlN buffer layers by metalorganic chemical vapor deposition (MOCVD) method. An amorphous layer was formed at the interface between Si and AlN when thick GaN film was grown. We propose the amorphous layer was induced by the large stress at the interface when thick GaN was grown. The In0.1Ga0.9N/GaN multiple quantum well (MQW) reduced the dislocation density by obstructing the mixed and screw dislocations from passing through the MQW. But no evident reduction of the edge dislocations by the MQW was observed. It was found that dislocations located at the boundaries of grains slightly in-plane misoriented have screw component. Inversion domain is also observed. (C) 2003 Elsevier B.V. All rights reserved.

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GaAsSb/GaAs single quantum wells (SQWs) grown by molecular beam epitaxy are studied by selectively-excited photoluminescence (SEPL) measurement. For the first time, we have simultaneously observed the PL, from both type I and type II transitions in GaAsSb/GaAs heterostructure in the SEPL. The two transitions exhibit different PL, behaviours under different excitation energy. As expected, the peak energy of type I emission remains constant in the whole excitation energy range we used, while type U transition shows a significant blue shift with increasing excitation energy. The observed blue shift is well explained in terms of electron-hole charge separation model at the interface. Time-resolved(TR) PL exhibits more type 11 characteristic of GaAsSb/GaAs QW. Moreover, the results of the excitation-power-dependent PL and TRPL provide more direct information on the type-II nature of the band alignment in GaAsSb/GaAs quantum-well structures. By combining the experimental results with some simple calculations, we have obtained the strained and unstrained valence band offsets of Q(v) = 1.145 and Q(v)(0) = 0. 76 in our samples, respectively.

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Passivation and low temperature method was carried out to grow InGaN/GaN quantum dots (QDs). Atomic force microscope observations were performed to investigate the evolution of the surface morphology of the InGaN QDs superlattices with increasing the superlattices layer number. The result shows that the size of the QDs increases with increasing superlattices layer number. The QDs height and diameter increase from 18 and 50 run for the monolayer InGaN QDs to 37 and 80 urn for the four-stacked InGaN QDs layers, respectively. This result is considered to be due to the stress field from the sub-layer dots. (C) 2003 Elsevier Science B.V. All rights reserved.

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The in-plane optical anisotropies of a series of GaAs/AlxGa1-xAs single-quantum-well structures have been observed at room temperature by reflectance difference spectroscopy. The measured degree of polarization of the excitonic transitions is inversely proportional to the well width. Numerical calculations based on the envelope function approximation incorporating the effect of C-2v-interface symmetry have been performed to analyze the origin of the optical anisotropy. Good agreement with the experimental data is obtained when the optical anisotropy is attributed to anisotropic-interface structures. The fitted interface potential parameters are consistent with predicted values.

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Type-II SiGe/Si MQWs (Multi-Quantum Wells) and Self-Organized Ge/Si Islands were successfully grown by a homemade ultra-high vacuum/chemical vapor deposition (UHV/CVD) system. Growth characteristics and PL (photoluminescence) spectra at different temperature were measured. It demonstrated that some accumulation of carriers in the islands results in the increase of the integrated PL intensity of island-related at a certain temperature range.

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Multi-sheet InGaN/GaN quantum dots (QDs) were grown successfully by surface passivation processing and low-temperature growth in metalorganic chemical vapor deposition. This method based on the principle of increasing the energy barrier of adatom hopping by surface passivation and low-temperature growth, is quite different from present methods. The InGaN quantum dots in the first layer of about 40-nm-wide and 15-nm-high grown by this method were revealed by atomic force microscopy. The InGaN QDs in upper layer grew bigger. To our knowledge, the current-voltage characteristics of multi-sheet InGaN/GaN QDs were measured for the fist time. Two kinds of resonance-tunneling-current features were observed which were attributed to the low-dimensional localization effect. Some current peaks only appeared in positive voltage for sample due to the non-uniformity of the QDs in the structure. (C) 2002 Elsevier Science B.V. All rights reserved.

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The influence of the Indium segregation on the interface asymmetry in InGaAs/GaAs quantum wells have been studied by reflectance-difference spectroscopy (RDS). It is found that the anisotropy of the 2H1E (2HH --> 1E) transition is very sensitive to the degree of the interface asymmetry. Calculations taking into account indium segregation yield good agreement with the observed anisotropy structures. It demonstrates that the anisotropy intensity ratio of the 1L1E (1LH --> 1E) and 2H1E transitions measured by RDS can be used to characterize the interface asymmetry. (C) 2002 Elsevier Science B.V. All rights reserved.

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In the framework of effective-mass envelope function theory, the valence energy subbands and optical transitions of the InAs/GaAs quantum ring are calculated by using a four-band valence band model. Our model can be used to calculate the hole states of quantum wells, quantum wires, and quantum dots. The effect of finite offset and valence band mixing are taken into account. The energy levels of the hole are calculated in the different shapes of rings. Our calculations show that the effect of the difference between effective masses of holes in different materials on the valence subband structures is significant. Our theoretical results are consistent with the conclusion of the recent experimental measurements and should be useful for researching and making low-dimensional semiconductor optoelectronic devices. (C) 2002 American Institute of Physics.