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At least 127 records · Page 7

Theoretical Study of the Transverse Dielectric Constant of Superlattices and Their Alloys

The optical properties of III to V binary and ternary compounds and GaAs-Al(x)Ga(1-x)As superlattices are determined by calculating the real and imaginary parts of the transverse dielectric constant. Emphasis is given to determining the influence of different material and superlattice parameters on the values of the index of refraction and absorption coefficient. In order to calculate the optical properties of a material, it is necessary to compute its electronic band structure. This was accomplished by introducing a partition band structure approach based on a combination of the vector k x vector p and nonlocal pseudopotential techniques. The advantages of this approach are that it is accurate, computationally fast, analytical, and flexible. These last two properties enable incorporation of additional effects into the model, such as disorder scattering, which occurs for alloy materials and excitons. Furthermore, the model is easily extended to more complex structures, for example multiple quantum wells and superlattices. The results for the transverse dielectric constant and absorption coefficient of bulk III to V compounds compare well with other one-electron band structure models and the calculations show that for small frequencies, the index of refraction is determined mainly by the contibution of the outer regions of the Brillouin zone.

Kahen, K. B.↗

Impact ionization across the conduction-band-edge discontinuity of quantum-well heterostructures

Impact ionization across the band-edge discontinuity of quantum-well heterostructures is studied theoretically. A heterolayer structure of alternating Al(x)Ga(1-x)As and GaAs layers is considered where the GaAs layers are heavily doped with donors. Thus a large number of electrons is confined to the quantum-well region. Incident electrons are heated up by applied electric fields and collide with the electrons confined in the well regions. Both the ionization rate as a function of the incident energy, and average ionization rates are computed. Device applications of such multiple quantum-well structures and the possibility of a complete analog to the conventional photomultiplier are discussed.

Chuang, S. L.↗

Large optical nonlinearities in a GaAs/AlGaAs hetero n-i-p-i structure

Light-induced changes in the absorption of a multiple quantum well hetero n-i-p-i structure at room temperature have been measured using a pump-probe method. Changes in the absorption coefficient in the quantum wells of more than 2000/cm have been observed with pump intensities as small as 375 mW/sq cm. Corresponding changes in the index of refraction of about 0.02 have been calculated.

Kost, A.↗

Microscopic Modeling of Intersubband Optical Processes in Type II Semiconductor Quantum Wells: Linear Absorption

Linear absorption spectra arising from intersubband transitions in semiconductor quantum well heterostructures are analyzed using quantum kinetic theory by treating correlations to the first order within Hartree-Fock approximation. The resulting intersubband semiconductor Bloch equations take into account extrinsic dephasing contributions, carrier-longitudinal optical phonon interaction and carrier-interface roughness interaction which is considered with Ando s theory. As input for resonance lineshape calculation, a spurious-states-free 8-band kp Hamiltonian is used, in conjunction with the envelop function approximation, to compute self-consistently the energy subband structure of electrons in type II InAs/AlSb single quantum well structures. We demonstrate the interplay of nonparabolicity and many-body effects in the mid-infrared frequency range for such heterostructures.

Li, Jian-Zhong↗

Quantum mechanical calculations to chemical accuracy

The accuracy of current molecular-structure calculations is illustrated with examples of quantum mechanical solutions for chemical problems. Two approaches are considered: (1) the coupled-cluster singles and doubles (CCSD) with a perturbational estimate of the contribution of connected triple excitations, or CCDS(T); and (2) the multireference configuration-interaction (MRCI) approach to the correlation problem. The MRCI approach gains greater applicability by means of size-extensive modifications such as the averaged-coupled pair functional approach. The examples of solutions to chemical problems include those for C-H bond energies, the vibrational frequencies of O3, identifying the ground state of Al2 and Si2, and the Lewis-Rayleigh afterglow and the Hermann IR system of N2. Accurate molecular-wave functions can be derived from a combination of basis-set saturation studies and full configuration-interaction calculations.

Bauschlicher, Charles W., Jr.↗

Corrugated Quantum Well Infrared Photodetector Focal Plane Array Test Results

The corrugated quantum-well infrared photodetector (C-QWIP) uses total internal reflection to couple normal incident light into the optically active quantum wells. The coupling efficiency has been shown to be relatively independent of the pixel size and wavelength thus making the C-QWIP a candidate for detectors over the entire infrared spectrum. The broadband coupling efficiency of the C-QWIP makes it an ideal candidate for multiwavelength detectors. We fabricated and tested C-QWIP focal plane arrays (FPAs) with cutoff wavelengths of 11.2 and 16.2 micrometers. Each FPA has 256 x 256 pixels that are bump-bonded to a direct injection readout circuit. Both FPAs provided infrared imagery with good aesthetic attributes. For the 11.2-micrometers FPA, background-limited performance (BLIP) was observed at 60 K with f/3 optics. For the 16.2-micrometers FPA, BLIP was observed at 38 K. Besides the reduction of dark current in C-QWIP structures, the measured internal quantum efficiency (eta) remains to be high. The values for responsivity and quantum efficiency obtained from the FPA results agree well with those measured for single devices.

Goldberg, A.↗

Sensor technology

The objective is to provide necessary expertise and technology to advance space remote sensing of terrestrial, planetary, and galactic phenomena through the use of electromagnetic and electro-optic properties of gas, liquid, and solid state materials technology. The Sensor Technology Program is divided into two subprograms: a base research and development part and a Civil Space Technology Initiative (CSTI) part. The base research and development consists of research on artificially grown materials such as quantum well and superlattice structure with the potential for new and efficient means for detecting electromagnetic phenomena. Research is also being done on materials and concepts for detector components and devices for measuring high energy phenomena such as UV, X-, and gamma rays that are required observables in astrophysis and solar physics missions. The CSTI program is more mission driven and is balanced among four major disciplines: detector sensors; submillimeter wave sensors; LIDAR/DIAL sensors; and cooler technology.

Sokoloski, Martin M.↗

Absorption and photoluminescence of ultrathin pseudomorphic InAs/GaAs quantum wells

Absorption data are presented for 2-4-monolayer InAs/GaAs single quantum wells obtained at 77 K using a polarization-based measurement technique. The special contribution of the optical loss features arising from bulk GaAs was minimized using the polarization selectivity of absorption in single quantum wells. The double structure observed in the spectra is attributed to transitions involving confined heavy holes and both confined and unconfined electron states.

Ksendzov, A.↗

Transmission Electron Microscope Measures Lattice Parameters

Convergent-beam microdiffraction (CBM) in thermionic-emission transmission electron microscope (TEM) is technique for measuring lattice parameters of nanometer-sized specimens of crystalline materials. Lattice parameters determined by use of CBM accurate to within few parts in thousand. Technique developed especially for use in quantifying lattice parameters, and thus strains, in epitaxial mismatched-crystal-lattice multilayer structures in multiple-quantum-well and other advanced semiconductor electronic devices. Ability to determine strains in indivdual layers contributes to understanding of novel electronic behaviors of devices.

Pike, William T.↗

Vibrational and Rovibrational Spectroscopy Applied to Astrochemistry

The detection of molecules in astrophysical environments almost always requires remote sensing. While radioastronomical observation and associated rotational spectroscopy are powerful astronomical tools, infrared spectral analysis provides a unique means of examining the observable universe, especially for molecules where permanent dipole moments are small or even non-existent. The molecular vibrations of small molecules are now able to be modeled via quantum chemistry and electronic structure theory conjoined to vibrational analysis to within spectroscopic accuracy in many cases. This chapter will showcase this success and build upon it to show how such advances are now being leveraged to describe molecular vibrations for molecules containing dozens of atoms, electronically excited states, "hot bands," exoplanetary atmospheric opacity data, and even emission of polycyclic aromatic hydrocarbons. All of these are required to prune the interstellar spectral garden of its "weeds" in search of "flowers" that will provide the necessary fingerprints for astronomers to be able to probe the heavens for its past, present, and future secrets.

Ryan C. Fortenberry↗

Nanostructured Quantum Dots or Dashes in Photovoltaic Devices and Methods Thereof

A photovoltaic device includes one or more structures, an array of at least one of quantum dots and quantum dashes, at least one groove, and at least one conductor. Each of the structures comprises an intrinsic layer on one of an n type layer and a p type layer and the other one of the n type layer and the p type layer on the intrinsic layer. The array of at least one of quantum dots and quantum dashes is located in the intrinsic layer in at least one of the structures. The groove extends into at least one of the structures and the conductor is located along at least a portion of the groove.

Raffaele, Ryne P.↗

Nucleosynthesis in AGB stars: Observation of Mg-25 and Mg-26 in IRC+10216 and possible detection of Al-26

We report the detection in the circumstellar envelope IRC+10216 of millimeter lines of the rare isotopomers (25)MgNC and (26)MgNC, as well as of a line at 234433 MHz, which could be the J= 7-6 transition of (26)AlF (an alternate, although less likely identified would be the J= 9-8 transition of NaF). The derived Mg-24:Mg-25:Mg-26 isotopic abundance ratios (78 : 11+/- 1 : 11 +/-1) are consistent with the solar system values (79.0:10.0:11.0), following Anders & Grevesse 1989). According to new calculations of evolutionary models of 3 solar mass and 5 solar mass asymptotic giant branch (AGB) stars, these ratios and the previously measured N, O and Si isotopic ratios imply that the central star had an initial mass 3 solar mass (less than or equal to M(sub *, ini) less than 5 solar mass and has already experienced many 3rd dredge-up events. From this, it can be predicted that the Al-26/Al-27 isotopics ratio lies between 0.01 and 0.08; in fact, the value derived in the case that U234433 arises from (26)AlF is Al-26/Al-27 = 0.04. The identification of the (25)MgNC and (26)MgNC lines was made possible by ab-initio quantum mechanical calculations of the molecule geometrical structure. It was confirmed through millimeter-wave laboratory measurements. The quantum mechanical calculations are briefly described and the laboratory results presented in some detail. The rotation constants B, D, H and the spin-rotation constant gamma of (25)MgNC and (26)MgNC are determined from a fit of laboratory and astronomical data.

Guelin, M.↗

Berry phase in Heisenberg representation

We define the Berry phase for the Heisenberg operators. This definition is motivated by the calculation of the phase shifts by different techniques. These techniques are: the solution of the Heisenberg equations of motion, the solution of the Schrodinger equation in coherent-state representation, and the direct computation of the evolution operator. Our definition of the Berry phase in the Heisenberg representation is consistent with the underlying supersymmetry of the model in the following sense. The structural blocks of the Hamiltonians of supersymmetrical quantum mechanics ('superpairs') are connected by transformations which conserve the similarity in structure of the energy levels of superpairs. These transformations include transformation of phase of the creation-annihilation operators, which are generated by adiabatic cyclic evolution of the parameters of the system.

Andreev, V. A.↗

Initial conditions and quantum cosmology

A theory of initial conditions is necessary for a complete explanation of the presently observed large scale structural features of the universe, and a quantum theory of cosmology is probably needed for its formulation. The kinematics of quantum cosmology are reviewed, and some candidates for a law of initial conditions are discussed. The proposal that the quantum state of a closed universe is the natural analog of the ground state for closed cosmologies and is specified by a Euclidean sum over histories is sketched. When implemented in simple models, this proposal is consistent with the most important large-scale observations.

Hartle, James B.↗

Theoretical determination of chemical rate constants using novel time-dependent methods

The work completed within the grant period 10/1/91 through 12/31/93 falls primarily in the area of reaction dynamics using both quantum and classical mechanical methodologies. Essentially four projects have been completed and have been or are in preparation of being published. The majority of time was spent in the determination of reaction rate coefficients in the area of hydrocarbon fuel combustion reactions which are relevant to NASA's High Speed Research Program (HSRP). These reaction coefficients are important in the design of novel jet engines with low NOx emissions, which through a series of catalytic reactions contribute to the deterioration of the earth's ozone layer. A second area of research studied concerned the control of chemical reactivity using ultrashort (femtosecond) laser pulses. Recent advances in pulsed-laser technologies have opened up a vast new field to be investigated both experimentally and theoretically. The photodissociation of molecules adsorbed on surfaces using novel time-independent quantum mechanical methods was a third project. And finally, using state-of-the-art, high level ab initio electronic structure methods in conjunction with accurate quantum dynamical methods, the rovibrational energy levels of a triatomic molecule with two nonhydrogen atoms (HCN) were calculated to unprecedented levels of agreement between theory and experiment.

Dateo, Christopher E.↗