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The states of the three-dimensional quantum harmonic oscillator classify optical aberrations of axis-symmetric systems due to the isomorphism between the two mathematical structures. Cartesian quanta and angular momentum classifications have their corresponding aberration classifications. The operation of concatenation of optical elements introduces a new operation between harmonic oscillator states.
The objectives are: (1) development of methodological and computational tool for the quantum chemistry study of carbon nanostructures and (2) development of the fundamental understanding of the bonding, reactivity, and electronic structure of carbon nanostructures. Our calculations have continued to play a central role in understanding the outcome of the carbon nanotube macroscopic production experiment. The calculations on buckyonions offer the resolution of a long controversy between experiment and theory. Our new tight binding method offers increased speed for realistic simulations of large carbon nanostructures.
Ceramic interconnects for use in solid oxide he1 cells are expected to operate between 900 to approximately 1000 C, sinter below 1400 C to allow co-firing and meet a number thermal mechanical requirements. The pervoskite type (ABO3) lanthanum chromite based materials have emerged as a leading candidate that will meet these criteria by varying the composition on the A and B sites. A need therefore exists to determine this material's temperature dependent electrical and mechanical properties with respect to these site substitutions. In this investigation oxide powders were prepared by the glycine-nitrate process. Ionic substitutions were carried out on A sites with Ca or Sr, and B sites with Co and Al, respectively. Only stoichiometric compositions were considered for the sake of stability. The powders and their ability to sinter were investigated by XRD, SEM, dilatometry and density measurements. The sintered materials were further examined by SEM, thermal expansion and electric conductivity measurements in order to elucidate the resulting microstructure, electrical and mechanical properties. In addition quantum mechanical calculations were performed to obtain insight into the effects of these dopants on the materials electronic band structure and lattice parameter.
A report describes an experimental study of dislocation-induced spatial ordering of quantum dots (QDs) comprising nanometer-sized In(x)Ga(1-x)As islands surrounded by GaAs. Metastable heteroepitaxial structures were grown by molecular-beam epitaxy of In(x)Ga(1-x)As onto n+ GaAs and semi-insulating GaAs substrates. Then the structures were relaxed during a post-growth annealing/self-organizing process leading to the formation of surface undulations that acted as preferential sites for the nucleation of QDs. Structural effects of annealing times and temperatures on the strain-relaxed In(x)Ga(1-x)As/GaAs and the subsequent spatial ordering of the QDs were analyzed by atomic-force microscopy and transmission electron microscopy. Continuous-wave spectral and time-resolved photoluminescence (PL) measurements were performed to study the effects, upon optical properties, of increased QD positional ordering, increased QD uniformity, and proximity of QDs to arrays of dislocations. PL spectral peaks of ordered QD structures formed on strain-relaxed In(x)Ga(1-x)As/GaAs layers were found to be narrower than those of structures not so formed and ordered. Rise and decay times of time-resolved PL were found to be lower at lower temperatures -- apparently as a consequence of decreased carrier-transport times within the barriers surrounding the QDs.
Within the framework of the project the University of Delaware has developed InGaAsSb-based heterojunction phototransistors (HPT) structure with a large (1000 micron diameter) photosensitive/photoactive area. Two different compositions of quaternary alloys were used to provide the cutoff wavelength (50% of maximum quantum efficiency) of 2.4 micron (Type 1) and 2.15 micron (Type 2). The Type 1 HPT was composed of Al0.25Ga0.75As0.02Sb0.98 and In0.18Ga0.82As0.17Sb0.83 layers with room-temperature bandgaps of Eg approximates 1.0 eV and Eg approximates 0.54 eV, respectively. The layers are lattice-matched to a GaSb substrate. The growth started with a 0.15micron-thick n+-GaSb buffer layer and was completed with a 0.1 m-thick n+- GaSb contact layer doped with Te. The HPT structure includes a 0.5 m-thick n-type AlGaAsSb emitter, 0.8 micron-thick p-type composite base consisting of AlGaAsSb (0.3 m) and InGaAsSb (0.5 m) layers, and a 1.5micron - thick n type InGaAsSb collector. The Type 2 HPT differed by a higher bandgap In0.16Ga0.84As 0.14Sb0.86 layers with a room-temperature bandgap of Eg approximates 0.555 eV.
Hosts of technologies, most notably in electronics, have been on the path of miniaturization for decades and in 2005 they have crossed the threshold of the nano-scale. Crossing the nano-scale threshold is a milestone in miniaturization, setting impressive new standards for component-packing densities. It also brings technology to a scale at which quantum effects and fault tolerance play significant roles and approaches the feasible physical limit form many conventional "top-down" manufacturing methods. I will suggest that the most formidable manufacturing problems in nanotechnology will be overcome and major breakthroughs will occur in a host of technologies, when nanotechnology converges with bio-technology; i.e. I will argue that the future of bio-technology is in nanotechnology. In 2005, methods in molecular biology, microscopy, bioinformatics, biochemistry, and genetic engineering have focused considerable attention on the nano-scale. On this scale, biology is a kind of recursive chemistry in which molecular recognition, self-assembly, self-organization and self-referencing context-control lead to the emergence of the complexity of structures and processes that are fundamental to all life forms. While we are still far from understanding this complexity, we are on the threshold of being able to use at least some of these biological properties for .technology. I will discuss the use of biomolecules, such as DNA, RNA, and proteins as "tools" for the bio-technologist of the future. More specifically, I will present in some detail an example of how we are using a genetically engineered 60-kDa protein (HSP60) from an organism living in near boiling sulfuric acid to build nano-scale templates for arranging metallic nanoparticles. These "extremophile" HSP60s self-assemble into robust double-ring structures called "chaperonins," which further assemble into filaments and arrays with nanometer accuracy. I will discuss our efforts to use chaperonins to organize quantum dots, electronic and magnetic nano-particles for electronic and photonic applications.
NiTi is a promising material for smart and active technologies due to its exhibition of the shape memory effect, superelasticity, and biocompatibility. The shape memory effect is tied to the reversible transition between the austenite and martensite phases. A major research direction is to alloy NiTi with Zr, Hf, Pd, Pt, etc., in order to tune the martensitic transition temperature (MTT). Modeling the MTT from first principles is challenging because the lattice dynamics is complicated by anharmonicity and various low-energy structures. Using density functional theory, the energy difference between the austenite and martensite phases of NiTi varies by up to 100 meV/atom depending on the choice of density functional, which is of the same order of the energy difference itself. Consequently, free energy calculations with different functionals can result in estimates of the MTT that vary by several hundred K. Using diffusion quantum Monte Carlo, we calculated the energy difference between the B2 and B19' structures of NiTi to be 70.9 +- 2.5 meV/atom.
The research is reported concerning energy-density relation for the normal state of neutron star matter, and the effects of superfluidity and polarization on neutron star matter. Considering constraints on variation, and the theory of quantum fluids, three methods for calculating the energy-density range are presented. The effects of polarization on neutron star structure, and polarization effects on condensation and superfluid-state energy are discussed.
The problem of the quantum treatment of nonreactive collisions of two simple molecules or of an atom and a molecule is considered mathematically. Kinematical structure theorems analogous to the Wigner-Eckart theorem for scalar operators are derived for the transition operator (T-operator) of a two-molecule system, where, in addition to the usual conservation laws, certain additional conservation laws are presumed satisfied in a collision. The additional conservation laws were examined in order to develop a testable approximation scheme (CS method) for the specification of the kinematics of a system of two rigid diatomic molecules. The rand p-helicity basis states for a two-rigid rotor system are defined and unitary transformations established between these and conventional bases. It is found that only questionable criteria exist for testing the on-the-energy-shell matrix of a T(energy) operator for the presence of properties of two of the additional conservation laws.
Second-order nonlinear optical processes including second-harmonic generation, optical rectification, and difference-frequency generation associated with intersubband transitions in wurtzite GaN/AlGaN quantum well (QW) are investigated theoretically. Taking into account the strain-induced piezoelectric (PZ) effects, we solve the electronic structure of the QW from coupled effective-mass Schrodinger equation and Poisson equation including the exchange-correlation effect under the local-density approximation. We show that the large PZ field in the QW breaks the symmetry of the confinement potential profile and leads to large second-order susceptibilities. We also show that the interband optical pump-induced electron-hole plasma results in an enhancement in the maximum value of the nonlinear coefficients and a redshift of the peak position in the nonlinear optical spectrum. By use of the difference-frequency generation, THz radiation can be generated from a GaN/Al(0.75)Ga(0.25)N with a pump laser of 1.55 micron.
Optical intersubband response of a multiple quantum well (MQW)-embedded microcavity driven by a coherent pump field is studied theoretically. The n-type doped MQW structure with three subbands in the conduction band is sandwiched between a semi-infinite medium and a distributed Bragg reflector (DBR). A strong pump field couples the two upper subbands and a weak field probes the two lower subbands. To describe the optical response of the MQW-embedded microcavity, we adopt a semi-classical nonlocal response theory. Taking into account the pump-probe interaction, we derive the probe-induced current density associated with intersubband transitions from the single-particle density-matrix formalism. By incorporating the current density into the Maxwell equation, we solve the probe local field exactly by means of Green's function technique and the transfer-matrix method. We obtain an exact expression for the probe absorption coefficient of the microcavity. For a GaAs/Al(sub x)Ga(sub 1-x)As MQW structure sandwiched between a GaAs/AlAs DBR and vacuum, we performed numerical calculations of the probe absorption spectra for different parameters such as pump intensity, pump detuning, and cavity length. We find that the probe spectrum is strongly dependent on these parameters. In particular, we find that the combination of the cavity effect and the Autler-Townes effect results in a triplet in the optical spectrum of the MQW system. The optical absorption peak value and its location can be feasibly controlled by varying the pump intensity and detuning.
We are developing a concept for a compact, low-mass, low-power, mid-infrared (MIR; 5- 12 microns) imaging heterodyne spectrometer that incorporates fiber optic coupling, Quantum Cascade Laser (QCL) local oscillator, photomixer array, and Radio Frequency Software Defined Readout (RFSDR) for spectral analysis. Planetary Decadal Surveys have highlighted the need for miniaturized, robust, low-mass, and minimal power remote sensing technologies for flight missions. The drive for miniaturization of remote sensing spectroscopy and radiometry techniques has been a continuing process. The advent of MIR fibers, and MEMS techniques for producing waveguides has proven to be an important recent advancement for miniaturization of infrared spectrometers. In conjunction with well-established photonics techniques, the miniaturization of spectrometers is transitioning from classic free space optical systems to waveguide/fiber-based structures for light transport and producing interference effects. By their very nature, these new devices are compact and lightweight. Mercury-Cadmium-Telluride (MCT) and Quantum Well Infrared Photodiodes (QWIP) arrays for heterodyne applications are also being developed. Bulky electronics is another barrier that precluded the extension of heterodyne systems into imaging applications, and our RFSDR will address this aspect.
S-matrix computations for quantum transitions, considering close coupling case of homonuclear diatomic molecular rotational excitation
By generalizing a construction of Berry and Simon, it is shown that non-Abelian gauge fields arise in the adiabatic development of simple quantum mechanical systems. Characteristics of the gauge fields are related to energy splittings, which may be observable in real systems. Similar phenomena are found for suitable classical systems.
A theoretical model is presented which predicts the output response of a CCD to soft X-ray spectra. The model simulates the four fundamental parameters that ultimately limit CCD performance: quantum efficiency, charge collection efficiency, charge transfer efficiency, and read noise. Simulated results are presented for a wide variety of CCD structures, and general conclusions are presented about achieving a practical balance of sensitivity, energy, and spatial resolution for an AXAF instrument. The results of the analysis are compared to an existing state-of-the art CCD and improvements which will be made in the near future are projected.
Interdigitated photoconductive detectors were fabricated on microwave device structures, making them easily integratable with Monolithic Microwave Integrated Circuits (MMIC). Detector responsivity as high as 2.5 A/W and an external quantum efficiency of 3.81 were measured. Response speed was nearly independent of electrode geometry, and all detectors had usable response at frequencies to 6 GHz. A small signal model of the detectors based on microwave measurements was also developed.
Temperature effects can be important in short pulse propagation or in CW operation of VCSELs. In those cases, the optical susceptibility function is, in general, a function of carrier density and plasma and/or lattice temperature(s). Just as there is an alpha factor induced by the density change (density alpha), there are alpha factors induced by lattice or plasma temperature change (temperature alphas). The density alpha factor has been studied quite extensively, while the temperature alpha factors have not been computed for any structure. I will report on my first calculations of alpha factors induced by the plasma and lattice temperature change for GaAs/AlGaAs quantum wells using microscopic theory. Besides, the temperature dependence of the density alpha factor is also considered.
A symmetrized version of the recently developed refined Robert-Bonamy formalism [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] is proposed. This model takes into account line coupling effects and hence allows the calculation of the off-diagonal elements of the relaxation matrix, without neglecting the rotational structure of the perturbing molecule. The formalism is applied to the isotropic Raman spectra of autoperturbed N2 for which a benchmark quantum relaxation matrix has recently been proposed. The consequences of the classical path approximation are carefully analyzed. Methods correcting for effects of inelasticity are considered. While in the right direction, these corrections appear to be too crude to provide off diagonal elements which would yield, via the sum rule, diagonal elements in good agreement with the quantum results. In order to overcome this difficulty, a re-normalization procedure is applied, which ensures that the off-diagonal elements do lead to the exact quantum diagonal elements. The agreement between the (re-normalized) semi-classical and quantum relaxation matrices is excellent, at least for the Raman spectra of N2, opening the way to the analysis of more complex molecular systems.