Defect states in cubic GaN epilayer grown on GaAs by metalorganic vapor phase epitaxy

Defect states in cubic GaN epilayers grown on GaAs were investigated with the photoluminescence technique. One shallow donor and two acceptors were identified to be involved in relevant optical transitions. The binding energies of the free excitons, the bound excitons. the donor and the acceptors were determined. These values are in good agreement with recent theoretical results.

Optical properties of Ge self-organized quantum dots in Si

Small-size, high-density, and vertical-ordering Ge quantum dots are observed in strained Si/Ge short-period superlattices grown on Si(001) at low growth temperature by molecular-beam epitaxy. The photoluminescence (PL) peak position, the strong PL at room temperature, and the high exciton binding energy suggest an indirect-to-direct conversion of the Ge quantum dots. This conversion is in good agreement with the theoretical prediction. The characteristic of absorption directly indicates this conversion. The tunneling of carriers between these quantum dots is also observed. [S0163-1829(98)03515-2].

GSMBE growth and characterization of InxGa1-xAs/InP strained-layer MQWs in a P-i-N configuration

InxGa1-xAs/InP (0.39 less than or equal to x less than or equal to 0.68) strained-layer quantum wells having 20 wells with thickness of 50 Angstrom in a P-i-N configuration were grown by gas source molecular beam epitaxy (GSMBE). High-resolution X-ray diffraction rocking curves show the presence of up to seven orders of sharp and intense satellite reflection, indicative of the structural perfection of the samples. Low-temperature photoluminescence and low-temperature absorption spectra were used to determine the exciton transition energies as a function of strain. Good agreement is achieved between exciton transition energies obtained experimentally at low temperature with those calculated using the deformation potential theory.

Study of GSMBE growth and characteristics of high-quality strained In0.63Ga0.37As/InP quantum wells

High-quality compressively strained In0.63Ga0.37As/InP quantum wells with different well widths (1-11 nm) have been grown coherently on InP substrates using a home-made gas source molecular beam epitaxy (GSMBE) system. The indium composition in the wells of the sample was determined by means of high-resolution X-ray diffraction and its computer simulation. it is found that the exciton transition energies determined by photoluminescence (PL) at 10 K are in good agreement with those calculated using a deformation potential model. Sharp and intense peaks for each well can be well resolved in the 10 K PL spectra. For wells narrower than 4 nm, the line width of the PL peaks are smaller than the theoretical values of the line-width broadening due to 1 hit interface fluctuation, showing that the interface fluctuation of our sample is within 1 ML. For wells of 7 and 9 nm, the PL peak widths are as low as 4.5 meV.

Defect states in cubic GaN epilayer grown on GaAs by metalorganic vapor phase epitaxy

Defect states in cubic GaN epilayers grown on GaAs were investigated with the photoluminescence technique. One shallow donor and two acceptors were identified to be involved in relevant optical transitions. The binding energies of the free excitons, the bound excitons. the donor and the acceptors were determined. These values are in good agreement with recent theoretical results.

Gound State Properties of Nuclei in (295)118 alpha-Decay Chain

The properties of nuclei belonging to the alpha-decay chain of superheavy element (295)118 have been studied in the framework of axially deformed relativistic mean field (RMF) theory with the parameter set of NL-Z2 in the blocked BCS approximation. Some ground state properties such as binding energies, deformations, and alpha-decay energies Q(alpha) have been obtained and agree well with those from finite-range droplet model (FRDM). The single-particle spectra of nuclei in (295)118 alpha-decay chain show that the shell gaps present obviously nucleon number dependence. The root-mean-square (rms) radii of proton, neutron and matter distributions change slowly from (283)112 to (295)118 but dramatically from (279)110 to (283)112, which may be due to the subshell closure at Z = 110 in (279)110. The alpha-decay half-lives in (295)118 decay chain are evaluated by employing the cluster model and the generalized liquid drop model (GLDM), and the overall agreement is found when they are compared with the known experimental data. The alpha-decay lifetimes obtained from the cluster model are slightly larger than those of GLDM ones. Finally, we predict the alpha-decay half-lives of Z = 118, 116, 114, 112 isotopes using the cluster model and GLDM, which also indicate these two models can corroborate each other in studies on superheavy nuclei. The results from GLDM are always lower than those obtained from the cluster model.

Low-lying states of heavy nuclei within the nucleon pair approximation

In this article we perform systematic calculations on low-lying states of 33 nuclei with A=202-212, using the nucleon pair approximation of the shell model. We use a phenomenological shell-model Hamiltonian that includes single-particle energies, monopole and quadrupole pairing interactions, and quadrupole-quadrupole interactions. The building blocks of our model space include one J=4 valence neutron pair, and one J=4,6,8 valence proton pair, in addition to the usual S and D pairs. We calculate binding energies, excitation energies, electric quadrupole and magnetic dipole moments of low-lying states, and E2 transition rates between low-lying states. Our calculated results are reasonably consistent with available experimental data. The calculated quadrupole moments and magnetic moments, many of which have not yet been measured for these nuclei, are useful for future experimental measurements.

Theoretical study on properties of new isotope (265)Bh

The properties of nuclei belonging to the newly observed a-decay chain starting from (265)Bh have been studied. The axially deformed relativistic mean-field calculation with the force NL-Z2 has been performed in the blocked BCS approximation. Some ground state properties such as binding energies, deformations, spins, and parities, as well as Q-values of the alpha-decay for this decay chain have been calculated and compared with known experimental data. Good agreement is found. The single-particle spectrum of the nucleus (265)Bh is studied and some new magic numbers are found, while the magnitudes of the shell gaps in superheavy nuclei are much smaller than those of nuclei before the actinium region, and the Fermi surfaces are close to the continuum. Thus the superheavy nuclei are usually not stable. The alpha-decay lifetimes in the (265)Bh decay chain are evaluated by different formulae, and compared with experimental data. The methods which give good agreement with the data are selected.

Properties and structure of N = Z nuclei within relativistic mean field theory

The axially deformed relativistic mean field theory with the force NLSH has been performed in the blocked BCS approximation to investigate the proper-ties and structure of N=Z nuclei from Z=20 to Z=48. Some ground state quantities such as binding energies, quadrupole deformations, one/two-nucleon separation energies, root-mean-squaxe (rms) radii of charge and neutron, and shell gaps have been calculated. The results suggest that large deformations can be found in medium-heavy nuclei with N=Z=38-42. The charge and neutron rms radii increase rapidly beyond the magic number N=Z=28 until Z=42 with increasing nucleon number, which is similar to isotope shift, yet beyond Z=42, they decrease dramatically as the structure changes greatly from Z=42 to Z=43. The evolution of shell gaps with proton number Z can be clearly observed. Besides the appearance of possible new shell closures, some conventional shell closures have been found to disappear in some region. In addition, we found that the Coulomb interaction is not strong enough to breakdown the shell structure of protons in the current region.

Systematic study of properties of Hs nuclei

The ground-state properties of Hs nuclei are studied in the framework of the relativistic meanfield theory. We find that the more relatively stable isotopes are located on the proton abundant side of the isotopic chain. The last stable nucleus near the proton drip line is probably the (255)Hs nucleus. The alpha-decay half-lives of Hs nuclei are predicted, and together with the evaluation of the spontaneous-fission half-lives it is shown that the nuclei, which are possibly stable against spontaneous fission are (263-274)Hs. This is in coincidence with the larger binding energies per nucleon. If (271-274)Hs can be synthesized and identified, only those nuclei from the upper Z = 118 isotopic chain, which are lighter than the nucleus (294)118, and those nuclei in the corresponding alpha-decay chain lead to Hs nuclei. The most stable unknown Hs nucleus is (268)Hs. The density-dependent delta interaction pairing is used to improve the BCS pairing correction, which results in more reasonable single-particle energy level distributions and nucleon occupation probabilities. It is shown that the properties of nuclei in the superheavy region can be described with this interaction.

Affinity and Specificity of Levamlodipine-Human Serum Albumin Interactions: Insights into Its Carrier Function

The affinity and specificity of drugs with human serum albumin (HSA) are crucial factors influencing the bioactivity of drugs. To gain insight into the carrier function of HSA, the binding of levamlodipine with HSA has been investigated as a model system by a combined experimental and theoretical/computational approach. The fluorescence properties of HSA and the binding parameters of levamlodipine indicate that the binding is characterized by one binding site with static quenching mechanism, which is related to the energy transfer. As indicated by the thermodynamic analysis, hydrophobic interaction is the predominant force in levamiodipine-HSA complex, which is in agreement with the computational results. And the hydrogen bonds can be confirmed by computational approach between levamlodipine and HSA. Compared to predicted binding energies and binding energy spectra at seven sites on HSA, levamlodipine binding HSA at site I has a high affinity regime and the highest specificity characterized by the largest intrinsic specificity ratio (ISR). The binding characteristics at site I guarantee that drugs can be carried and released from HSA to carry out their specific bioactivity.

Theoretical investigation of LaC2 and LaC2+ clusters

LaC2 (with doublet and quartet states) and LaC2+ (with singlet and triplet states) cluster have been studied by using the B3LYP (Becke three-parameter/Lee-Yang-Parr) density functional method and the HF (Hartree-Fock) method with LANLIDZ basis set. For each cluster, four possible isomers in C-2v, C-s, C-proportional to v and D-proportional to h symmetries have been investigated. The results indicate that structures in C-s symmetry are local minima in all cases and, in most cases (particularly for high spin states), our initial guess in C-s symmetry converges to structures in C-2v symmetry. For the isomers in C-2v, C-proportional to v and D-proportional to h symmetries, local minima were found to be dependent on the method and spin state. The two clusters may also exist as linear chains. The ordering of the binding energies for the isomers in all spin states is C-s similar to C-2v < C-proportional to v < D-proportional to h. The ionization potential of LaC2 is reported as well. (C) 1998 Elsevier Science B.V.

X-Ray Photoelectron Spectroscopy Study of LaMn1-xFexO3 (x=0-1) Oxides

The redox potential, surface composition and oxygen species of a series of complex oxides LaMn1-xFexO3 (x=0-1) having perovskite structure (ABO(3)) have been investigated by means of XI'S. The variation of binding energies referring to Mn2p and Fe 2p under different treatment offerred an obvious evidence of redox between Mn and Fe, which could be expressed as Mn4+ + Fe(3-delta)+ Mn(4-delta)+ Fe3+ Feat Through computer fit three kinds of adsorbed oxygen species (O-I, O-II, O-III) have been evaluated based on the XPS spectra of O1s. From the variation of contents of different oxygen species, it could be concluded that. the redox occuring in the surface might be related with the adsorbed oxygen species O-I and O-II, furthermore the possibility of transfer of electron between adsorption site and oxygen was also discussed.

XPS STUDY ON RARE-EARTH PHTHALOCYANINE COMPLEXES

The rare earth monophthalocyanine complexes, LnPcCl and LnPc(OAc)2 (Ln = Tb, Ho, Tm, Lu, Pc=Phthalocyanine, OAc = Acetate), were synthesized. The electronic structures of the complexes have been studied by means of XPS. The experimental results of binding energies for the complexes indicate that the bonds of the complexes have a certain covalent character depending on L-->Ln charge transfer. This L-->Ln charge transfer process of phythalocyanine complexes differs from that of crown ether complexes. Both coordination and substitution are included in the former case, but only coordination in the latter. Phthalocyanine ring is an electrophilic group and its electronegativity is large. So, the O1s binding energies of coordinating oxygen atoms of acetate in LnPc(OAc)2 are larger than those of Ln(OAc)3. The magnitude of valent charge delocalized from ligand onto metal atom is dependent on electronegativity, coordination number, valence state and so on. Because coordination number of Ln in LnPc(OAc)2 is larger than that in LnPcCl and electronegativity of Clin LnPcCl is larger than that of O in LnPc(OAc)2, the Ln4d5/2 binding energies of LnPc (OAc)2 are less than those of LnPcCl.

ELECTRONIC-STRUCTURE AND CHEMICAL BONDING OF EUROPIUM NITRATE COMPLEX WITH AZACROWN (2, 2)

The electronic structure and bond character of europium nitrate complex with azacrown (2, 2)(1, 7, 10, 16-tetraoxa-4, 13-diazacyclooctadecane), [Eu(NO_3)_2(2, 2)] NO_3, have been studied by means of XPS and INDO method. The data of electronic binding energies and charge distribution of atoms in the complex showed that chemical shift of less electronegative nitrogen N1s binding energy was larger than that of more electronegative oxygen O1s binding energy in coordinating atoms, and that charge transfer from N...