1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES FOR BAND STRUCTURES OF SI AND GAAS

We have applied the Green function theory in GW approximation to calculate the quasiparticle energies for semiconductors Si and GaAs. Good agreements of the calculated excitation energies and fundamental energy gaps with the experimental band structures were achieved. We obtained the calculated fundamental gaps of Si and GaAs to be 1.22 and 1.42 eV in comparison to the experimental values of 1.17 and 1.52 eV, respectively. Ab initio pseudopotential method has been used to generate basis wavefunctions and charge densities for calculating dielectric matrix elements and electron self-energies.

1ST-PRINCIPLES CALCULATIONS FOR QUASI-PARTICLE ENERGIES OF GAP AND GAAS

We have applied the Green-function method in the GW approximation to calculate quasiparticle energies for the semiconductors GaP and GaAs. Good agreement between the calculated excitation energies and the experimental results was achieved. We obtained calculated direct band gaps of GaP and GaAs of 2.93 and 1.42 eV, respectively, in comparison with the experimental values of 2.90 and 1.52 eV, respectively. An ab initio pseudopotential method has been used to generate basis wave functions and charge densities for calculating the dielectric matrix elements and self-enegies. To evaluate the dynamical effects of the screened interaction, the generalized-plasma-pole model has been utilized to extend the dielectric matrix elements from static results to finite frequencies. We presen the calculated quasiparticle energies at various high-symmetry points of the Brillouin zone and compare them with the experimental results and other calculations.

1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES FOR BAND STRUCTURES OF SEMICONDUCTORS

We successfully applied the Green function theory in GW approximation to calculate the quasiparticle energies for semiconductors Si and GaAs. Ab initio pseudopotential method was adopted to generate basis wavefunctions and charge densities for calculating dielectric matrix elements and electron self-energies. To evaluate dynamical effects of screened interaction, GPP model was utilized to extend dieletric matrix elements from static results to finite frequencies. We give a full account of the theoretical background and the technical details for the first principle pseudopotential calculations of quasiparticle energies in semiconductors and insulators. Careful analyses are given for the effective and accurate evaluations of dielectric matrix elements and quasiparticle self-energies by using the symmetry properties of basis wavefunctions and eigenenergies. Good agreements between the calculated excitation energies and fundamental energy gaps and the experimental band structures were achieved.

Hole Spin Relaxation in an Ultrathin InAs Monolayer

We investigate the spin relaxation time of holes in an ultrathin neutral InAs monolayer (1.5 ML) and compare with that of electrons, using polarization-dependent time-resolved photoluminescence (TRPL) experiments. With excitation energies above the GaAs gap, we observe a rather slow relaxation of holes (tau(1h) = 196 +/- 17 ps) that is in the magnitude similar to electrons (tau(1e) = 354 +/- 32 ps) in this ultrathin sample. The results are in good agreement with earlier theoretical prediction, and the phonon scattering due to spin-orbit coupling is realized to play a dominant role in the carrier spin kinetics.

Selectively excited photoluminescence of GaAs1-xSbx/GaAs single quantum wells

GaAsSb/GaAs single quantum wells grown by molecular-beam epitaxy are studied by selectively excited photoluminescence measurements. We have simultaneously observed the photoluminescence (PL) from both type-I and type-II transitions in the samples. The two transitions exhibit different PL behavior under different excitation energies. As expected, the peak energy of the type-I emission remains constant in the entire excitation energy range we used, while the type-II transition shows a significant blueshift with increasing excitation energy. The observed blueshift can be well explained by an electron-hole charge separation model at interface. This result, along with the excitation-power-dependent PL and the measured longer carrier decay time, provides more direct information on the type-II nature of the band alignment in GaAsSb/GaAs quantum well structures. (C) 2002 American Institute of Physics.

Evolution from point defects to arsenic clusters in low-temperature grown GaAs/AlGaAs multiple quantum wells

Optical transient current spectroscopy (OTCS), photoluminescence (PL) spectroscopy and excitonic electroabsorption spectroscopy have been used to investigate the evolution of defects in the low-temperature grown GaAs/AlGaAs multiple quantum well structures during the postgrowth rapid thermal annealing. The sample was grown at 350 degrees C by molecular beam epitaxy on miscut (3.4 degrees off (001) towards (111)A) (001) GaAs substrate. After growth, the sample was subjected to 30s rapid thermal annealing in the range of 500-800 degrees C. It is found that the integrated PL intensity first decreases with the annealing temperature, then gets a minimum at 600 degrees C and finally recovers at higher temperatures. OTCS measurement shows that besides As,, antisites and arsenic clusters, there are several relatively shallower deep levels with excitation energies less than 0.3 eV in the as-grown and 500 degrees C-annealed samples. Above 600 degrees C, OTCS signals from As,, antisites and shallower deep levels become weaker, indicating the decrease of these defects. It is argued that the excess arsenic atoms group together to form arsenic clusters during annealing. (C) 2000 Elsevier Science B.V. All rights reserved.

Production of heavy and superheavy nuclei in massive fusion reactions

Within the framework of a dinuclear system (DNS) model, the evaporation-residue excitation functions and the quasi-fission mass yields in the 48Ca induced fusion reactions are investigated systematically and compared with available experimental data. Maximal production cross sections of superheavy nuclei based on stable actinide targets are obtained. Isotopic trends in the production of the superheavy elements Z = 110, 112–118 based on the actinide isotopic targets are analyzed systematically. Optimal evaporation channels and combinations as well as the corresponding excitation energies are proposed. The possible factors that influencing the isotopic dependence of the production cross sections are analyzed. The formation of the superheavy nuclei based on the isotopes U with different projectiles are also investigated and calculated.

Relativistic Distorted-Wave Collision Strengths of Ni-, Cu- and Zn-like Au Ions

Excitation energies and electron impact excitation strengths from the ground states of Ni-, Cu- and Zn-like Au ions are calculated. The collision strengths are computed by a 213-levels expansion for the Ni- like Au ion, 405-levels expansion for the Cu-like Au ion and 229-levels expansion for the Zn-like Au ion. Configuration interactions are taken into account for all levels included. The target state wavefunctions are calculated by using the Grasp92 code. The continuum orbits are computed in the distorted-wave approximation, in which the direct and exchange potentials among all the electrons are included. Excellent agreement is found when the results are compared with previous calculations and recent measurements.

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.

Production of new superheavy Z=108-114 nuclei with U-238, Pu-244, and Cm-248,Cm-250 targets

Within the framework of the dinuclear system (DNS) model, production cross sections of new superheavy nuclei with charged numbers Z=108-114 are analyzed systematically. Possible combinations based on the actinide nuclides U-238, Pu-244, and Cm-248,Cm-250 with the optimal excitation energies and evaporation channels are pointed out to synthesize new isotopes that lie between the nuclides produced in the cold fusion reactions and the Ca-48-induced fusion reactions experimentally, which are feasible to be constructed experimentally. It is found that the production cross sections of superheavy nuclei decrease drastically with the charged numbers of compound nuclei. Larger mass asymmetries of the entrance channels enhance the cross sections in 2n-5n channels.

Shell model study of single-particle and collective structure in neutron-rich Cr isotopes

The structure of neutron-rich Cr isotopes is systematically investigated by using the spherical shell model. The calculations reproduce well the known energy levels for the even-even Cr52-62 and odd-mass Cr53-59 nuclei, and predict a lowering of excitation energies around neutron number N = 40. The calculated B(E2; 2(1)(+) -> 0(1)(+)) systematics shows a pronounced collectivity around N = 40; a similar characteristic behavior has been suggested for Zn and Ge isotopes. Causes for the sudden drop of the 9/2(1)(+) energy in Cr-59 and the appearance of very low 0(2)(+) states around N = 40 are discussed. We also predict a new band with strong collectivity built on the 0(2)(+) state in the N = 40 isotope Cr-64.

Formation of superheavy nuclei in cold fusion reactions

Within the concept of the dinuclear system (DNS), a dynamical model is proposed for describing the formation of superheavy nuclei in complete fusion reactions by incorporating the coupling of the relative motion to the nucleon transfer process. The capture of two heavy colliding nuclei, the formation of the compound nucleus, and the de-excitation process are calculated by using an empirical coupled channel model, solving a master equation numerically and applying statistical theory, respectively. Evaporation residue excitation functions in cold fusion reactions are investigated systematically and compared with available experimental data. Maximal production cross sections of superheavy nuclei in cold fusion reactions with stable neutron-rich projectiles are obtained. Isotopic trends in the production of the superheavy elements Z=110, 112, 114, 116, 118, and 120 are analyzed systematically. Optimal combinations and the corresponding excitation energies are proposed.

Possible way to synthesize superheavy element Z=117

Within the framework of the dinuclear system model, the production of superheavy element Z = 117 in possible projectile-target combinations is analysed systematically. The calculated results show that the production cross sections are strongly dependent on the reaction systems. Optimal combinations, corresponding excitation energies and evaporation channels are proposed, such as the isotopes Bk-248,Bk-249 in Ca-48 induced reactions in 3n evaporation channels and the reactions Sc-45+Cm-246,Cm-248 in 3n and 4n channels, and the system V-51+Pu-244 in 3n channel.

Properties of alpha-decay to ground and excited states of heavy nuclei

Branching ratios and half-lives of alpha-decay to the ground-state rotational bands as well as the high-lying excited states of even-even nuclei have been calculated in the framework of the generalized liquid drop model (GLDM) and Royer's formula that we improved very recently. The calculation covers the isotopic chains from Ra to No in the mass regions 222 <= A <= 252 and 88 <= Z <= 102. The agreement between the calculated results and the experimental data indicates the reliability of investigating the properties of the unfavored alpha-decay with our method, especially the improved Royer's formula, which is very valuable for the analysis of experimental data. In addition, the dependence of half-lives on excitation energies of daughter nuclei has been investigated. It is shown that the influence on half-lives becomes stronger and stronger with the increase of the excitation energies.

Microscopic examination of NpNn dominance in the evolution of nuclear structure

The proton-neutron interaction in determining the evolution of nuclear structure has been studied by using the Brillouin-Wigner perturbation expansion. The particle-hole and particle-particle p-n interactions are unifiedly described in the theory. The obtained formulas of level energies and excitation energies scaled in the small- and large-NpNn limits can well explain the linearity of the extracted proton-neutron interaction energies and the attenuation of the 2(1)(+) excitation energies against the valence nucleon product NpNn for five mass regions from A = 100-200.