964 resultados para Quantum chemical calculations


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The ground state of a double quantum-dot structure is studied by a simplified Anderson-type model. Numerical calculations reveal that the ground-state level of this artificial molecule increases with the increasing single particle level of the dot, and also increases with the decreasing transfer integrals. We show the staircase feature of the electron occupation and the properties of the ground-state eigenvector by varying the;single particle level of the dot.

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650 nm-range AlGaInP multi-quantum well (MQW) laser diodes grown by low pressure metal organic chemical vapor deposition (LP-MOCVD) have been studied and the results are presented in this paper. Threshold current density of broad area contact laser diodes can be as low as 350 A/cm(2). Laser diodes with buried-ridge strip waveguide structures were made, threshold currents and differential efficiencies are (22-40) mA and (0.2-0.7) mW/mA, respectively. Typical output power for the laser diodes is 5 mW, maximum output power of 15 mW has been obtained. Their operation temperature can be up to 90 degrees C under power of 5 mW. After operating under 90 degrees C and 5 mW for 72 hrs, the average increments for the threshold currents of the lasers at 25 degrees C and the operation currents at 5 mW (at 25 degrees C) are (2-3) mA and (3-5) mA, respectively. Reliability tests showed that no obvious degradation was observed after 1400 hours of CW operation under 50 degrees C and 2.5 mW.

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Self-assembled InxGa1-xAs quantum dots (QDs) on (311)A/B GaAs surfaces have been grown by molecular beam epitaxy (MBE). Spontaneously ordering alignment of InxGa1-xAs with lower In content around 0.3 have been observed. The direction of alignment orientation of the QDs formation differs from the direction of misorientation of the (311)B surface, and is strongly dependent upon the In content x. The ordering alignment become significantly deteriorated as the In content is increased to above 0.5 or as the QDs are formed on (100) or (311)A substrates. (C) 1999 Elsevier Science B.V. All rights reserved.

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A systematic study of electron cyclotron resonance (CR) in two sets of GaAs/Al0.3Ga0.7As modulation-doped quantum-well samples (well widths between 12 and 24 nm) has been carried out in magnetic fields up to 30 T. Polaron CR is the dominant transition in the region of GaAs optical phonons for the set of lightly doped samples, and the results are in good agreement with calculations that include the interaction with interface optical phonons. The results from the heavily doped set are markedly different. At low magnetic fields (below the GaAs reststrahlen region), all three samples exhibit almost identical CR which shows little effect of the polaron interaction due to screening and Pauli-principle effects. Above the GaAs LO-phonon region (B > similar to 23 T), the three samples behave very differently. For the most lightly doped sample (3 x 10(11) cm(-2)) only one transition minimum is observed, which can be explained as screened polaron CR. A sample of intermediate density (6 x 10(11) cm(-2)) shows two lines above 23 T; the higher frequency branch is indistinguishable from the positions of the single line of the low density sample. For the most heavily, doped sample (1.2 x 10(12) cm(-2)) there is no evidence of high frequency resonance, and the strong, single line observed is indistinguishable from the lower branch observed from sample with intermediate doping density. We suggest that the low frequency branch in our experiment is a magnetoplasmon resonance red-shifted by disorder, and the upper branch is single-particle-like screened polaron CR. (C) 1998 Elsevier Science B.V. All rights reserved.

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Spontaneous formation of InAs quantum wires in InAlAs on InP(001) via sequential chain-like coalescence of quantum dots along [1 (1) over bar 0] is realized. Theoretical calculations based on the energetics of interacting steps provide a qualitative explanation for the experimental results. Sequential coalescence of initially isolated dots reduces the total free energy strikingly. Thus the wire-like structure is energetically favorable. (C) 1998 Elsevier Science B.V.

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We report the device performance of normal-incidence (In, Ga)As/GaAs quantum dot intersubband infrared photodetectors. A primary intersubband transition peak is observed at the wavelength of 13 mu m (E-0 --> E-1) and a secondary peak at 11 mu m (E-0 --> E-2). The measured energy spacing in the conduction band of the quantum dots is in good agreement with low temperature photoluminescence measurement and calculations. A peak detectivity of 1 x 10(10) cm Hz(1/2)/W at 13 mu m was achieved at 40 K for these devices. (C) 1998 American Institute of Physics. [S0003-6951(98)01440-5].

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The linear electro-optic (Pockels) effect of wurtzite gallium nitride (GaN) films and six-period GaN/AlxGa1-xN superlattices with different quantum structures were demonstrated by a polarization-maintaining fiber-optical Mach-Zehnder interferometer system with an incident light wavelength of 1.55 mu m. The samples were prepared on (0001) sapphire substrate by low-temperature metalorganic chemical vapor deposition (MOCVD). The measured coefficients of the GaN/AlxGa1-xN superlattices are much larger than those of bulk material. Taking advantage of the strong field localization due to resonances, GaN/AlxGa1-xN SL can be proposed to engineer the nonlinear responses.

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Temperature-dependent bimodal size evolution of InAs quantum dots on vicinal GaAs(100) substrates grown by metalorganic chemical vapor deposition (MOCVD) is studied. An abnormal trend of the evolution on temperature is observed. With the increase of the growth temperature, while the density of the large dots decreases continually, that of the small dots first grows larger when temperature was below 520 degrees C, and then there is a sudden decrease at 535 degrees C. Photoluminescence (PL) studies show that QDs on vicinal substrates have a narrower PL line width, a longer emission wavelength and a larger PL intensity.

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In AlGaInP/GaInP multi-quantum well (MQW) lasers, the electron leakage current is a much more serious problem than that in laser diodes with longer wavelength. To further improve the output performance, the leakage current should be analyzed. In this letter, the temperature dependence of electrical derivative characteristics in AlGaInP/GaInP multi-quantum well lasers was measured, and the potential barrier for electron leakage was obtained. With the help of secondary ion mass spectroscopy (SIMS) measurement, theoretical analysis of the potential barrier was presented and compared with the measurement result. The influence of p-cladding doping level and doping profile on the potential barrier was discussed, and this can be helpful in metalorganic chemical vapor deposition (MOCVD) growth.

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The interface properties of GaNxAs1-x/GaAs single-quantum well is investigated at 80 K by reflectance difference spectroscopy. Strong in-plane optical anisotropies (IPOA) are observed. Numerical calculations based on a 4 band K . P Hamiltonian are performed to analyze the origin of the optical anisotropy. It is found that the IPOA can be mainly attributed to anisotropic strain effect, which increases with the concentration of nitrogen. The origin of the strain component epsilon(xy) is also discussed.

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We report on a magnetophotoluminescence study of single self-assembled semiconductor nanorings which are fabricated by molecular-beam epitaxy combined with AsBr3 in situ etching. Oscillations in the neutral exciton radiative recombination energy and in the emission intensity are observed under an applied magnetic field. Further, we control the period of the oscillations with a gate potential that modifies the exciton confinement. We infer from the experimental results, combined with calculations, that the exciton Aharonov-Bohm effect may account for the observed effects.

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For large size- and chemical-mismatched isovalent semiconductor alloys, such as N and Bi substitution on As sites in GaAs, isovalent defect levels or defect bands are introduced. The evolution of the defect states as a function of the alloy concentration is usually described by the popular phenomenological band anticrossing (BAC) model. Using first-principles band-structure calculations we show that at the impurity limit the N-(Bi)-induced impurity level is above (below) the conduction- (valence-) band edge of GaAs. These trends reverse at high concentration, i.e., the conduction-band edge of GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix becomes a Bi-derived state, as expected from their band characters. We show that this band crossing phenomenon cannot be described by the popular BAC model but can be naturally explained by a simple band broadening picture.

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A systematic investigation on the photoluminescence (PL) properties of InxGa1-xAs/AlyGa1-xAs (x = 0.15, y = 0, 0.33) strained quantum wells (SQWs) with well widths from 1.7 to 11.0 nm has been performed at 77 K under high pressure up to 40 kbar. The experimental results show that the pressure coefficients of the exciton peaks corresponding to transitions from the first conduction subband to the heavy-hole subband increase from 10.05 meV/kbar of 11.0 nm well to 10.62 meV/kbar of 1.8 nm well for In0.15Ga0.85As/GaAs SQWs. However, the corresponding pressure coefficients slightly decrease from 9.93 meV/kbar of 9.0 nm well to 9.73 meV/kbar of 1.7 nm well for In0.15Ga0.85As/Al0.33Ga0.67As SQWs. Calculations based on the Kronig-Penney model reveal that the increased or decreased barrier heights and the increased effective masses with pressure are the main reasons of the change in the pressure coefficients.

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With conventional photolithography and wet chemical etching, we have realized GaAs/AlGaAs buried ridge-quantum-well-wires (RQWWs) with vertically stacked wires in lateral arrays promising for device application, which were grown in situ by a single-step molecular beam epitaxy growth and formed at the ridge tops of mesas on nonplanar substrates. Confocal photoluminescence (CPL) and polarization-dependent photoreflectance (PR) are applied to study optical characteristics of RQWWs. Lateral bandgap modulation due to lateral variation of QW layer thickness is demonstrated not only by CPL but also by PR. As one evidence for RQWWs, a large blue shift is observed at the energy level positions for electronic transitions corresponding to quantum wells (QWs) at the ridge tops of mesas compared with those corresponding to QWs on nonpatterned areas of the same sample. The blue shift is in contradiction with the fact that the GaAs QW layers at the tops of the mesas are thicker than those on nonpatterned areas. The other evidence for RQWWs, optical anisotropy is provided by the polarization-dependent PR, which results from lateral quantum size effect existing at the tops of the mesas.

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Recognizing the computational difficulty due to the exponential behavior of the evanescent states in the calculations of the electron transmission in waveguide structures, the authors propose two transfer matrix methods and apply them to investigate the influence of the evanescent states on the electron wave propagation. The study shows that the effect of the evanescent states on the electron transport is obvious when the electron energy is close to the subband minima. The results show that the calculated transmissions are much enhanced if the evanescent states are omitted in the calculations. For the multiple-stub structures, it is found that the connecting channel length has a critical effect on the electron transmission depending on it larger or smaller than the attenuation lengths of evanescent states. Based on the study of the evanescent states, a new kind of waveguide structures which exhibit quantum modulated transistor action is proposed. (C) 1997 American Institute of Physics.