PASSIVATION OF COPPER BY LITHIUM IN P-TYPE GAAS

We report the passivation of two deep copper-related acceptor levels in Cu-diffused p-type GaAs by the group-I element lithium. The deep-level-transient-spectroscopy (DLTS) signals of the well-known Cu-related levels with apparent activation energies 0.15 eV and 0.40 eV disappear in Cu-diffused samples when they are diffused with Li, but can be reactivated by annealing. Photoluminescence measurements show a corresponding disappearance and reappearance of the copper-related luminescence at 1.36 eV. Also we observe with DLT'S an energy level at E(V) + 0.32 eV in the Cu-Li-diff-used samples. The level is neither present in the Cu-diffused samples before Li diffusion nor in Cu-Li-diffused samples after annealing. As the level is not observed in starting materials or solely Li-diffused samples we suggest that it is related to a Cu-Li complex.

INFLUENCE OF THE 90-DEGREES PARTIAL DISLOCATION CORE STRUCTURE IN SILICON ON ENERGY-LEVELS

An LCAO-scheme taking into account 10 atomic orbitals (s-, p-, and d-type) is used to calculate the electronic structure of the reconstructed 90-degrees partial dislocation in Si. Two different valence force fields producing deviating results are used for modelling the core structure. Geometrical data published by another group is also used. The aim is to explore the influence of geometry on energy levels. We find that the band structure depends sensitively on bond angles. Using data determined by the Tersoff potential we obtain two bands of which the upper one penetrates deeply into the indirect band gap while the geometry minimizing the simple Keating potential leaves the gap completely clear of dislocation states. Thus, from a theoretical point of view, the chief difficulty in calculating the electronic structure of the reconstructed 90-degrees partial is the lack of accurate structural information.

THEORETICAL CALCULATION FOR SHUBNIKOV-DEHAAS OSCILLATIONS IN DEEP MESA STRUCTURES

We have used the rectangular confinement potential to describe Shubnikov-deHaas oscillations produced by one-dimensional electrons confined in deep mesa structures. The edge distortion of the confinement potential caused by electrostatic image forces is taken into account. The model contains no fitting parameters and relates well with experimental data. The comparison with earlier reported parabolic model is presented,

ANTICROSSING DUE TO RESONANT COUPLING OF HOLE LEVELS IN ASYMMETRIC COUPLED-QUANTUM-WELLS

We present distinct evidence of anticrossing behavior for excitonic transitions due to resonant coupling of heavy-hole ground levels in a biased GaAs/Al0.35Ga0.65As/GaAs (50/40/100 angstrom) asymmetric coupled-double-quantum-wells p-i-n structure by using photoluminescence spectra. The minimum level splitting is about 2.5 meV.

EFFECTS OF AN EXTERNAL MAGNETIC-FIELD ON SHALLOW DONOR LEVELS IN SEMICONDUCTORS

An extension of Faulkner's method for the energy levels of the shallow donor in silicon and germanium at zero field is made in order to investigate the effects of a magnetic field upon the excited states. The effective-mass Hamiltonian matrix elements of an electron bound to a donor center and subjected to a magnetic field B, which involves both the linear and quadratic terms of magnetic field, are expressed analytically and matrices are solved numerically. The photothermal ionization spectroscopy of phosphorus in ultrapure silicon for magnetic fields parallel to the [1,0,0] and [1,1,1] directions and up to 10 T is explained successfully.

EFFECTS OF DEEP CENTERS AT PT SI INTERFACES AND HYDROGENATION

Electrical measurements were combined with surface techniques to study the Pt/Si interfaces at various silicide formation temperatures. Effects of deep centers on the Schottky barrier heights were studied. Hydrogen plasma treatment was used to passivate the impurity/defect centers at the interfaces, and the effects of hydrogenation on the Schottky barrier heights were also examined. Combining our previous study on the Pt/Si interfacial reaction, factors influencing the PtSi/Si Schottky barrier diode are discussed.

DETERMINATION OF THE CONDUCTION-BAND OFFSET OF A SINGLE ALGAAS BARRIER LAYER USING DEEP-LEVEL TRANSIENT SPECTROSCOPY

The tunneling from an AlGaAs confined thin layer to a GaAs layer in the GaAs/Al0.33Ga0.67As/GaAs structure during the trapped electron emission from deep level in the AlGaAs to its conduction band has been observed by deep level transient spectroscopy. With the aid of the tunneling effect, the conduction-band offset DELTAE(c) was determined to be 0.260 eV, corresponding to 63% of DELTAE(g). A calculation was also carried out based on this tunneling model by using the experimental value of DELTAE(c) = E2 - E1 = 0. 260 eV, and good agreement between the experimental and calculated curves is obtained.

SEMICLASSICAL AND ENVELOPE-FUNCTION TREATMENT OF MAGNETIC LEVELS IN SUPERLATTICES UNDER AN INPLANE MAGNETIC-FIELD

The theoretical treatment of magnetic levels formed in the minibands of superlattices under an in-plane magnetic field is discussed. It is found that the results of semiclassical and envelope-function treatments based on miniband structures are in good agreement with the results calculated strictly by the quantum-mechanical method, so long as the critical parameter 2hc/eBL2 is larger than 1. The wave functions obtained are in the nature of superlattice envelope functions, which are over and above the usual effective-mass envelope functions for bulk materials.

Deep electron states in n-type Al-doped ZnS1-xTex grown by molecular beam epitaxy

Capacitance-voltage, photoluminescence (PL), and deep level transient spectroscopy techniques were used to investigate deep electron states in n-type Al-doped ZnS1-xTex epilayers grown by molecular beam epitaxy. The integrated intensity of the PL spectra obtained from Al-doped ZnS0.977Te0.023 is lower than that of undoped ZnS0.977Te0.023, indicating that some of the Al atoms form nonradiative deep traps. Deep level transient Fourier spectroscopy (DLTFS) spectra of the Al-doped ZnS1-xTex (x=0, 0.017, 0.04, and 0.046, respectively) epilayers reveal that Al doping leads to the formation of two electron traps 0.21 and 0.39 eV below the conduction band. DLTFS results suggest that in addition to the roles of Te as a component of the alloy as well as isoelectronic centers, Te is also involved in the formation of an electron trap, whose energy level with respect to the conduction band decreases as Te composition increases. Our results show that only a small fraction of Al atoms forms nonradiative deep defects, indicating clearly that Al is indeed a very good donor impurity for ZnS1-xTex epilayers in the range of Te composition being studied in this work. (C) 1997 American Institute of Physics. [S0021-8979(97)08421-1].

Ab initio calculations for the neutral and charged O vacancy in sapphire

The energetics, lattice relaxation, and the defect-induced states of st single O vacancy in alpha-Al2O3 are studied by means of supercell total-energy calculations using a first-principles method based on density-functional theory. The supercell model with 120 atoms in a hexagonal lattice is sufficiently large to give realistic results for an isolated single vacancy (square). Self-consistent calculations are performed for each assumed configuration of lattice relaxation involving the nearest-neighbor Al atoms and the next-nearest-neighbor O atoms of the vacancy site. Total-energy data thus accumulated are used to construct an energy hypersurface. A theoretical zero-temperature vacancy formation energy of 5.83 eV is obtained. Our results show a large relaxation of Al (O) atoms away from the vacancy site by about 16% (8%) of the original Al-square (O-square) distances. The relaxation of the neighboring Al atoms has a much weaker energy dependence than the O atoms. The O vacancy introduces a deep and doubly occupied defect level, or an F center in the gap, and three unoccupied defect levels near the conduction band edge, the positions of the latter are sensitive to the degree of relaxation. The defect state wave functions are found to be not so localized, but extend up to the boundary of the supercell. Defect-induced levels are also found in the valence-band region below the O 2s and the O 2p bands. Also investigated is the case of a singly occupied defect level (an F+ center). This is done by reducing both the total number of electrons in the supercell and the background positive charge by one electron in the self-consistent electronic structure calculations. The optical transitions between the occupied and excited states of the: F and F+ centers are also investigated and found to be anisotropic in agreement with optical data.