AN ANALYSIS OF CHARGE STATES FOR LOCAL VIBRATIONAL-MODES BY OXYGEN DEFECTS IN SEMI-INSULATING GAAS

The high-resolution spectral measurements for new local vibrational modes near 714 cm-1 due to the oxygen defect in semi-insulating GaAs are analyzed on the basis of a model calculation by self-consistent bond orbital approach. Two charge states of oxygen atom with 1 and 2 extra electrons are assigned to be responsible for these local modes. The observed frequencies are explained by the properties of Ga-O-1 and Ga-O-2 bonds and the calculated cohesive energy indicates that the O-2 state is stable. The results are in good agreement with the kinetic analysis.

2-DELTA-FUNCTION GENERALIZED PLASMA POLE MODEL FOR 1ST PRINCIPLE CALCULATIONS OF QUASI-PARTICLE ENERGIES IN MANY-ELECTRON SYSTEMS

To evaluate the dynamical effects of the screened interaction in the calculations of quasiparticle energies in many-electron systems a two-delta-function generalized plasma pole model (GPP) is introduced to simulate the dynamical dielectric function. The usual single delta-function GPP model has the drawback of over simplifications and for the crystals without the center of symmetry is inappropriate to describe the finite frequency behavior for dielectric function matrices. The discrete frequency summation method requires too much computation to achieve converged results since ab initio calculations of dielectric function matrices are to be carried out for many different frequencies. The two-delta GPP model is an optimization of the two approaches. We analyze the two-delta GPP model and propose a method to determine from the first principle calculations the amplitudes and effective frequencies of these delta-functions. Analytical solutions are found for the second order equations for the parameter matrices entering the model. This enables realistic applications of the method to the first principle quasiparticle calculations and makes the calculations truly adjustable parameter free.

A theoretical model for the tilt of the GaAs/Si epilayers

The crystallographic tilt of the epilayers with respect to their substrates has been observed in many heteroepitaxial systems. Many models have been proposed to explain this phenomenon, but none of them is suitable for the large mismatched system, such as GaAs/Si. Here a new model is proposed for GaAs/Si epilayers, which can also be used in other large mismatched systems. The magnitude of the tilt calculated from this model coincide well with the experimental results. Especially, this model can correctly predict the tilt direction of the GaAs/Si epilayers.

Kinetics and transport model for the chemical vapor epitaxy of GexSi1-x

A numerical model that combines mass transport and surface kinetics was applied, for the first time, to the chemical vapor epitaxy of GexSi1-x. The temperature, velocity and concentration fields were calculated from the conservation equations for energy, momentum and species coupled with the boundary conditions on the growth surface which were determined by surface kinetics. The deposition rates of Si and Ge were assumed to be limited, respectively, by surface kinetics and mass transport. A theoretical relation between the initial conditions and the Ge composition in the solid was established. The calculated growth rate as well as the Ge composition in the solid and its dependence on growth temperature agree well with experimental data.

A surface structure model for Si(337)

The surface reconstruction on Si(337) at room temperature has been studied by low energy electron diffraction (LEED). It has been found that: (I) the Si(337) gave a clear LEED pattern which indicates the existence of another high index stable surface besides Si(113); (II) in addition to a strong Si(337)-(1 X 1), we observed for the first time a (2 X 1) LEED pattern indicating a surface reconstruction along the [1(1) over bar0$] direction; (III) a surface model has been proposed for the observed Si(337)-(2 X 1) structure.

A transition layer model and its application to resonant tunneling in heterostructures

A transition layer model is proposed and used to calculate resonant tunneling in a double-barrier quantum well system. Compared with the ideal step of the potential at the interface, the studied system has transition layers that are composed by many thin rectangular barriers with a random height. It is found that these transition layers can improve the peak-to-valley ratio of the tunneling current and change the negative differential conductance.

Verification of EL2 electronic absorption effect on charge transfer in semi-insulating GaAs

The electronic absorption of EL2 centers has been clarified to be related to the electron acid hole photoionizations, and the transition from its ground state to metastable state, respectively. Under an illumination with a selected photon energy in the near infrared region, these three processes with different optical cross sections will show different kinetics against the illumination time. It has recently been shown that the photosensitivity (measured under 1.25 eV illumination) of the local vibrational mode absorption induced by some deep defect centers in SI-GaAs is a consequence of the electron and hole photoionizations of EL2. This paper directly measures the kinetics of the electronic transition associated with EL2 under 1.25 eV illumination, which implies the expected charge transfer among different charge states of the EL2 center. A calculation based on a simple rate equation model is in good agreement with the experimental results.