Intrinsic correlation between fragility and bulk modulus in metallic glasses

A systematic study on the available data of 26 metallic glasses shows that there is an intrinsic correlation between fragility of a liquid and bulk modulus of its glass. The underlying physics can be rationalized within the formalism of potential energy landscape thermodynamics. It is surprising to find that the linear correlation between the fragility and the bulk-shear modulus ratio exists strictly at either absolute zero temperature or very high frequency. Further analyses indicate that a real flow event in bulk metallic glasses is shear dominant, and fragility is in inverse proportion to shear-induced bulk dilatation. Finally, extension of these findings to nonmetallic glasses is discussed.

Energy spectrum of ground state and excitation spectrum of quasi-particle for hard-core boson in optical lattices

We investigate the energy spectrum of ground state and quasi-particle excitation spectrum of hard-core bosons, which behave very much like spinless noninteracting fermions, in optical lattices by means of the perturbation expansion and Bogoliubov approach. The results show that the energy spectrum has a single band structure, and the energy is lower near zero momentum; the excitation spectrum gives corresponding energy gap, and the system is in Mott-insulating state at Tonks limit. The analytic result of energy spectrum is in good agreement with that calculated in terms of Green's function at strong correlation limit.

Effects of self energy of the ions on the double layer structure and properties at the dielectric interface

Although numerous theoretical efforts have been put forth, a systematic, unified and predictive theoretical framework that is able to capture all the essential physics of the interfacial behaviors of ions, such as the Hofmeister series effect, Jones-Ray effect and the salt effect on the bubble coalescence remain an outstanding challenge. The most common approach to treating electrostatic interactions in the presence of salt ions is the Poisson-Boltzmann (PB) theory. However, there are many systems for which the PB theory fails to offer even a qualitative explanation of the behavior, especially for ions distributed in the vicinity of an interface with dielectric contrast between the two media (like the water-vapor/oil interface). A key factor missing in the PB theory is the self energy of the ion.

In this thesis, we develop a self-consistent theory that treats the electrostatic self energy (including both the short-range Born solvation energy and the long-range image charge interactions), the nonelectrostatic contribution of the self energy, the ion-ion correlation and the screening effect systematically in a single framework. By assuming a finite charge spread of the ion instead of using the point-charge model, the self energy obtained by our theory is free of the divergence problems and gives a continuous self energy across the interface. This continuous feature allows ions on the water side and the vapor/oil side of the interface to be treated in a unified framework. The theory involves a minimum set of parameters of the ion, such as the valency, radius, polarizability of the ions, and the dielectric constants of the medium, that are both intrinsic and readily available. The general theory is first applied to study the thermodynamic property of the bulk electrolyte solution, which shows good agreement with the experiment result for predicting the activity coefficient and osmotic coefficient.

Next, we address the effect of local Born solvation energy on the bulk thermodynamics and interfacial properties of electrolyte solution mixtures. We show that difference in the solvation energy between the cations and anions naturally gives rise to local charge separation near the interface, and a finite Galvani potential between two coexisting solutions. The miscibility of the mixture can either increases or decreases depending on the competition between the solvation energy and translation entropy of the ions. The interfacial tension shows a non-monotonic dependence on the salt concentration: it increases linearly with the salt concentration at higher concentrations, and decreases approximately as the square root of the salt concentration for dilute solutions, which is in agreement with the Jones-Ray effect observed in experiment.

Next, we investigate the image effects on the double layer structure and interfacial properties near a single charged plate. We show that the image charge repulsion creates a depletion boundary layer that cannot be captured by a regular perturbation approach. The correct weak-coupling theory must include the self-energy of the ion due to the image charge interaction. The image force qualitatively alters the double layer structure and properties, and gives rise to many non-PB effects, such as nonmonotonic dependence of the surface energy on concentration and charge inversion. The image charge effect is then studied for electrolyte solutions between two plates. For two neutral plates, we show that depletion of the salt ions by the image charge repulsion results in short-range attractive and long-range repulsive forces. If cations and anions are of different valency, the asymmetric depletion leads to the formation of an induced electrical double layer. For two charged plates, the competition between the surface charge and the image charge effect can give rise to like- charge attraction.

Then, we study the inhomogeneous screening effect near the dielectric interface due to the anisotropic and nonuniform ion distribution. We show that the double layer structure and interfacial properties is drastically affected by the inhomogeneous screening if the bulk Debye screening length is comparable or smaller than the Bjerrum length. The width of the depletion layer is characterized by the Bjerrum length, independent of the salt concentration. We predict that the negative adsorption of ions at the interface increases linearly with the salt concentration, which cannot be captured by either the bulk screening approximation or the WKB approximation. For asymmetric salt, the inhomogeneous screening enhances the charge separation in the induced double layer and significantly increases the value of the surface potential.

Finally, to account for the ion specificity, we study the self energy of a single ion across the dielectric interface. The ion is considered to be polarizable: its charge distribution can be self-adjusted to the local dielectric environment to minimize the self energy. Using intrinsic parameters of the ions, such as the valency, radius, and polarizability, we predict the specific ion effect on the interfacial affinity of halogen anions at the water/air interface, and the strong adsorption of hydrophobic ions at the water/oil interface, in agreement with experiments and atomistic simulations.

The theory developed in this work represents the most systematic theoretical technique for weak-coupling electrolytes. We expect the theory to be more useful for studying a wide range of structural and dynamic properties in physicochemical, colloidal, soft-matter and biophysical systems.

Nuclear Energy Levels of ^31S and ^33Cl

The reaction ³²S(³He, α) ³¹S has been used to locate 42 levels in ³¹S. For 11 of the first 17 levels ℓ_n-values have been determined. The first 6 excited states of ³¹S have been studied by applying the particle-gamma correlation method of Litherland and Ferguson (their Method II) to the reaction ³²S(³He, αγ) ³¹S. The resulting spins and parities are: E_X, J^π = 1.25 MeV, 3/2⁺; 2.23 MeV, 5/2⁺; 3.08 MeV, 1/2⁺; 3.29 MeV, 5/2⁺, 3/2⁺; 3.35 MeV, 7/2, 3/2; 3.44 MeV, 3/2⁺. Mixing and branching ratios have also been determined. The ground state Q-value for the reaction ³²S(³He, α)³¹S has been measured to be 5.538 ± 0.006 MeV. Analysis of the spectra of the reaction ³²S(³He, α)³³Cl which were obtained as a by-product of the spectra of the reaction ³²S(³He, α) ³¹S located levels in ³³Cl at the following excitation energies: 0, 810 ± 9, (1978 ± 14), 2351 ± 9, 2686 ± 8, 2848 ± 9 (a known doublet), 2980 ± 9, and 4119 ± 10 keV. The 2.0 MeV level was only weakly populated, and to confirm its existence the reaction ³⁶Ar(p, α)³³Cl has been studied. In this reaction the 2.0 MeV level was strongly populated and the measured excitation energy was 1999 ± 20 keV. The experimental results for ³¹S and ³³Cl are compared with their analogs and with nuclear model predictions.

Correlation between density of states distributions and the fermi level position in interfacial regions of amorphous silicon thin film transistors

This paper investigates the variation of the integrated density of states with conduction activation energy in hydrogenated amorphous silicon thin film transistors. Results are given for two different gate insulator layers, PECVD silicon oxide and thermally grown silicon dioxide. The different gate insulators produce transistors with very different initial transfer characteristics, but the variation of integrated density of states with conduction activation energy is shown to be similar.

Energy spectra of two-electron two-dimensional quantum dots confined by elliptical and bowl-like potentials

The laterally confining potential of quantum dots (QDs) fabricated in semiconductor heterostructures is approximated by an elliptical two-dimensional harmonic-oscillator well or a bowl-like circular well. The energy spectrum of two interacting electrons in these potentials is calculated in the effective-mass approximation as a function of dot size and characteristic frequency of the confining potential by the exact diagonalization method. Energy level crossover is displayed according to the ratio of the characteristic frequencies of the elliptical confinement potential along the y axis and that along the x axis. Investigating the rovibrational spectrum with pair-correlation function and conditional probability distribution, we could see the violation of circular symmetry. However, there are still some symmetries left in the elliptical QDs. When the QDs are confined by a "bowl-like" potential, the removal of the degeneracy in the energy levels of QDs is found. The distribution of energy levels is different for the different heights of the barriers. (C) 2003 American Institute of Physics.

Correlation of structural and optical investigation of InGaAs/InAlAs quantum cascade laser

Double X-ray diffraction has been used to investigate InGaAs/InAlAs quantum cascade (QC) laser grown on InP substrate by molecule beam epitaxy, by means of which, excellent lattice matching, the interface smoothness, the uniformity of the thickness and the composition of the epilayer are disclosed. What is more, these results are in good agreement with designed value. The largest lattice mismatch is within 0.18% and the intersubband absorption wavelength between two quantized energy levels is achieved at about lambda = 5.1 mum at room temperature. At 77 K, the threshold density of the QC laser is less than 2.6 kA/cm(2) when the repetition rate is 5 kHz and the duty cycle is 1%. (C) 2003 Elsevier Science B.V. All rights reserved.

Electron ground state energy level determination of ZnSe self-organized quantum dots embedded in ZnS

Optical and electrical characterization of the ZnS self-organized quantum dots (QDs) embedded in ZnS by molecular beam epitaxy have been investigated using photoluminescence (PL), capacitance-voltage (C-V), and deep level transient Fourier spectroscopy (DLTFS) techniques. The temperature dependence of the free exciton emission was employed to clarify the mechanism of the PL thermal quenching processes in the ZnSe QDs. The PL experimental data are well explained by a two-step quenching process. The C-V and DLTFS techniques were used to obtain the quantitative information on the electron thermal emission from the ZnSe QDs. The correlation between the measured electron emission from the ZnSe QDs in the DLTFS and the observed electron accumulation in the C-V measurements was clearly demonstrated. The emission energy for the ground state of the ZnSe QDs was determined to be at about 120 meV below the conduction band edge of the ZnS barrier, which is in good agreement with the thermal activation energy, 130 meV, obtained by fitting the thermal quenching process of the free exciton PL peak. (C) 2003 American Institute of Physics.

Binding energy of positively and negatively charged excitons in GaAs/AlxGa1-xAs quantum wells

Using a simple two-parameter wavefunction, we calculate variationally the binding energy of positively and negatively charged excitons in GaAs/AlxGa1-xAs quantum wells for well widths from 10 to 300Angstrom. We consider the effect of effective mass, dielectric constant mismatch in the two materials, and the whole correlation among the particles. The results are discussed and compared in detail with previous experimental and theoretical results, which show fair agreement with them.

Ultrafast sum-frequency polarization beats in twin Markovian stochastic correlation

An analytic closed form for the second- order or fourth- order Markovian stochastic correlation of attosecond sum- frequency polarization beat ( ASPB) can be obtained in the extremely Doppler- broadened limit. The homodyne detected ASPB signal is shown to be particularly sensitive to the statistical properties of the Markovian stochastic light. fields with arbitrary bandwidth. The physical explanation for this is that the Gaussian- amplitude. field undergoes stronger intensity. fluctuations than a chaotic. field. On the other hand, the intensity ( amplitude). fluctuations of the Gaussian- amplitude. field or the chaotic. field are always much larger than the pure phase. fluctuations of the phase-diffusion field. The field correlation has weakly influence on the ASPB signal when the laser has narrow bandwidth. In contrast, when the laser has broadband linewidth, the ASPB signal shows resonant- nonresonant cross correlation, and the sensitivities of ASPB signal to three Markovian stochastic models increase as time delay is increased. A Doppler- free precision in the measurement of the energy- level sum can be achieved with an arbitrary bandwidth. The advantage of ASPB is that the ultrafast modulation period 900as can still be improved, because the energy- level interval between ground state and excited state can be widely separated.

Twin Markovian field correlation on four-level attosecond polarization beats

Based on the phase-conjugate polarization interference between two two-photon processes, we obtained an analytic closed form for the second-order or fourth-order Markovian stochastic correlation of the four-level attosecond sum-frequency polarization beat (FASPB) in the extremely Doppler-broadened limit. The homodyne-detected FASPB signal is shown to be particularly sensitive to the statistical properties of the Markovian stochastic light fields with arbitrary bandwidth. The different roles of the amplitude fluctuations and the phase fluctuations can be understood physically in the time-domain picture. The field correlation has a weak influence on the FASPB signal when the laser has narrow bandwidth. In contrast, when the laser has broadband linewidth, the FASPB signal shows resonant-nonresonant cross-correlation, and drastic difference for three Markovian stochastic fields. The maxima of the two two-photon signals are shifted from zero time delay to the opposite direction, and the signal exhibits damping oscillation when the laser frequency is off-resonant from the two-photon transition. A Doppler-free precision in the measurement of the energy-level sum can be achieved with an arbitrary bandwidth. As an attosecond ultrafast modulation process, it can be extended intrinsically to any sum frequency of energy levels.

IDENTIFICATION OF THE ENERGY-LEVELS OF SI-RH

Two thermostable levels E(0.31) and E(0.58) related to Rh in Si were observed using deep level transient spectroscopy and double correlation deep level transient spectroscopy techniques. By means of thermal annealing and electron irradiation, the microscopic natures of these levels were identified for the first time. The levels E(0.31) and E(0.58) arise from by the same impurity center but have different charge states. Their microstructures are not related to a pure substitutional Rh atom, but correspond to a complex. This result is compared to our self-consistent theoretical calculation.

Correlation of electrical and optical properties in dually Cd+ and N+ ion-implanted GaAs

Cd in GaAs is an acceptor atom and has the largest atomic diameter among the four commonly-used group-II shallow acceptor impurities (Be, Mg, Zn and Cd). The activation energy of Cd (34.7 meV) is also the largest one in the above four impurities, When Cd is doped by ion implantation, the effects of lattice distortion are expected to be apparently different from those samples ion-implanted by acceptor impurities with smaller atomic diameter. In order to compensate the lattice expansion and simultaneously to adjust the crystal stoichiometry, dual incorporation of Cd and nitrogen (N) was carried out into GaAs, Ion implantation of Cd was made at room temperature, using three energies (400 keV, 210 keV, 110 keV) to establish a flat distribution, The spatial profile of N atoms was adjusted so as to match that of Cd ones, The concentration of Cd and N atoms, [Cd] and [N] varied between 1 x 10(16) cm(-3) and 1 x 10(20) cm(-3). Two type of samples, i.e., solely Cd+ ion-implanted and dually (Cd+ + N+) ion-implanted with [Cd] = [N] were prepared, For characterization, Hall effects and photoluminescence (PL) measurements were performed at room temperature and 2 K, respectively. Hall effects measurements revealed that for dually ion-implanted samples, the highest activation efficiency was similar to 40% for [Cd] (= [N])= 1 x 10(18) cm(-3). PL measurements indicated that [g-g] and [g-g](i) (i = 2, 3, alpha, beta,...), the emissions due to the multiple energy levels of acceptor-acceptor pairs are significantly suppressed by the incorporation of N atoms, For [Cd] = [N] greater than or equal to 1 x 10(19) cm(-3), a moderately deep emission denoted by (Cd, N) is formed at around 1.45-1.41 eV. PL measurements using a Ge detector indicated that (Cd, N) is increasingly red-shifted in energy and its intensity is enhanced with increasing [Cd] = [N], (Cd, N) becomes a dominant emission for [Cd] = [N] = 1 x 10(20) cm(-3). The steep reduction of net hole carrier concentration observed for [Cd]/[N] less than or equal to 1 was ascribed to the formation of (Cd, N) which is presumed to be a novel radiative complex center between acceptor and isoelectronic atoms in GaAs.

Ground state energy of He isoelectronic sequence treated variationally via Hylleraas-like wavefunction

In this study, the energy for the ground state of helium and a few helium-like ions (Z=1-6) is computed variationally by using a Hylleraas-like wavefunction. A four-parameters wavefunction, satisfying boundary conditions for coalescence points, is combined with a Hylleraas-like basis set which explicitly incorporates r12 interelectronic distance. The main contribution of this work is the introduction of modified correlation terms leading to the definition of integral transforms which provide the calculation of expectation value of energy to be done analytically over single-particle coordinates instead of Hylleraas coordinates.