Energy bands and acceptor binding energies of GaN

The energy bands of zinc-blende and wurtzite GaN are calculated with the empirical pseudopotential method, and the pseudopotential parameters for Ga and N atoms are-given. The calculated energy bands are in agreement with those obtained by the ab initio method. The effective-mass theory for the semiconductors of wurtzite structure is established, and the effective-mass parameters of GaN for both structures are given The binding energies of acceptor states are calculated by solving strictly the effective-mass equations. The binding energies of donor and acceptor are 24 and 142 meV for the zinc-blende structure, 20 and 131, and 97 meV for the wurtzite structure, respectively, which are consistent with recent experimental results. It is proposed that there are two kinds of acceptor in wurtzite GaN. One kind is the general acceptor such as C, which substitutes N, which satisfies the effective-mass theory. The other kind of acceptor includes Mg, Zn, Cd, etc., the binding energy of these accepters is deviated from that given by the effective mass theory. In this report, wurtzite GaN is grown by the molecular-beam epitaxy method, and the photoluminescence spectra were measured. Three main peaks are assigned to the donor-acceptor transitions from two kinds of accepters. Some of the transitions were identified as coming from the cubic phase of GaN, which appears randomly within the predominantly hexagonal material. [S0163-1829(99)15915-0].

High-frequency hydrogen-related infrared modes in silicon grown in a hydrogen atmosphere

High-frequency vibrational modes have been observed at liquid-helium temperature in silicon samples grown in a H-2 or D-2 atmosphere. The highest-frequency ones are due to the overtones and combination modes of SiH fundamentals. Others are CH modes due to (C,H) complexes, but the simultaneous presence of NH modes due to (N,H) complexes cannot be excluded. The present results seem to show also the existence of centers including both SiH and CH or NH bonds. One sharp mode at 4349 cm-l is related to a weak SiH fundamental at 2210 cm(-1). The related center is ascribed to a vacancy fully decorated with hydrogen with a nearest-neighbor C atom. [S0163-1829(99)00911-X].

Pressure behavior of deep centers in ZnSxTe1-x alloys

We have measured photoluminescence of ZnSxTe1-x alloys (x > 0.7) at 300 K and under hydrostatic pressure up to 7 GPa. The spectra contain only a broad emission band under excitation of the 406.7 nm line. Its pressure coefficients are 47, 62 and 45 meV/GPa for x = 0.98, 0.92 and 0.79 samples, which are about 26%, 7% and 38% smaller than that of the band gap in the corresponding alloys. The Stokes shifts between emission and absorption of the bands were calculated by fitting the pressure dependence of the emission intensity, being 0.29, 0.48 and 0.13 eV for the three samples, respectively. The small pressure coefficient and large Stokes shift indicate that the emission band observed in our samples may correspond to the Te isoelectronic center in the ZnSxTe1-x alloy.

Hydrogen-decorated lattice defects in proton implanted GaN

Several vibrational bands were observed near 3100 cm(-1) in GaN that had been implanted with hydrogen at room temperature and subsequently annealed, Our results indicate that these bands are due to nitrogen-dangling-bond defects created by the implantation that an decorated by hydrogen, The frequencies are close to those predicted recently for V-Ga-H-n complexes, leading us to tentatively assign the new lines to V-Ga defects decorated with different numbers of H atoms. (C) 1998 American Institute of Physics. [S0003-6951(98)03614-6].

Photostimulated luminescence of AgI clusters in zeolite-Y

AgI clusters in zeolite-Y (AgI/Y) were prepared by Ag+ exchange followed by reaction with NaI in solution. The formation of the clusters was determined by transmission electron microscopy and Auger electron spectroscopy. The clusters were uniform and even in size, 1.0-2.0 nm. The fluorescence spectrum of the clusters consists of two emission bands, which are attributed to AgI and Ag clusters, respectively. Photostimulated luminescence (PSL) is observed by stimulation at 675 or at 840 nm. The PSL spectrum of AgI/Y is consistent with the emission spectrum of Ag clusters and thus the PSL is considered to be caused by the charge transfer or carrier migration from the zeolite framework or from the AgI clusters to the Ag clusters. The appearance of PSL indicates that these materials may find application as a medium for erasable optical memory. (C) 1998 American Institute of Physics. [S0021-8979(98)02407-4].

Formation, structure and fluorescence of CdS clusters in a mesoporous zeolite

CdS clusters are formed in the pores of a mesoporous zeolite in which the size of the clusters may be adjusted. The size of the clusters increases as the CdS loading is increased. X-ray diffraction investigation shows that the lattice constants of the clusters contract upon increasing size. This contraction is attributed to an increase of the static pressure exercised by the zeolite framework as the clusters grow bigger. Both the excitonic and trapped emission bands are detected and become more intensive upon decreasing size. Three absorption bands appear in the photoluminescence excitation (PLE) spectra and they shift to the blue as cluster size decreases. Based on the effective-mass approximation, the three bands are assigned to the 1S-1S, 1S-1P and 1S-1D transitions, respectively. The size-dependence of the PLE spectra can also be explained. (C) 1997 Elsevier Science Ltd.

Quantum confinement effect in silicon quantum-well layers

The electronic states and optical transition properties of silicon quantum-well layers embedded by SiO2 layers are studied by the empirical pseudopotential homojunction model. The energy bands, wave functions, and the optical transition matrix elements are obtained for layers of thickness from 1 to 6 nm, and three oriented directions (001), (110), and (111). It is found that for Si layers in the (001) direction the energy gap is pseudodirect, for these in the (111) direction the energy gap is indirect, while for those in the (110) direction the energy gap is pseudodirect or indirect for a thickness smaller or larger than 3 nm, respectively. The optical transition matrix elements are smaller than that of diner transition, and increase with decreasing layer thickness. When the thickness of a layer is smaller than 2 nm, the Si QW layers have larger transition matrix elements. It is caused by mixing of bulk X states with the Gamma(1) state. The calculated results are compared with experimental results.

Temperature and power-density-dependent inter-shell energy states in InAs/GaAs quantum dots

We have investigated the evolution of exciton state filling in InAs/GaAs quantum dot (QD) structures as a function of the excitation power density by using rnicro-photoluminescence spectroscopy at different temperatures. In addition to the emission bands of exciton recombination corresponding to the atom-like S, P and D, etc. shells of QDs, it was observed that some extra states V between the S and P shells, and D' between the P and D shells appear in the spectra with increasing number of excitons occupying the QDs at a certain temperature. The emergence of these inter-shell excitonic levels is power density and temperature dependent, which is an experimental demonstration of strong exciton-exciton exchange interaction, state hybridization, and coupling of a multi-exciton system in QDs. (c) 2006 Elsevier B.V. All rights reserved.

Variation of Optical Quenching of Photoconductivity with Resistivity in Unintentional Doped GaN

The optical quenching of photoconductivity under dual illumination in GaN samples with different resistivity is investigated to reveal the variation of deep levels. The samples are grown by metal organic chemical vapour deposition without intentional doping. Quenching bands centered at 1.35 eV, 1.55 eV, 1.98 eV, and 2.60 eV are observed. It is found that the 1.98 eV quenching band is dominated in all the samples and the 2.60 eV band is observed only in the high-resistivity samples. The possible defect levels responsible for the quenching bands and the origin of different quenching behaviour at 2.60 eV are discussed. It is suggested that the defect level responsible for quenching at 2.60 eV plays an important role for the enhancement of resistivity.

Strong circular photogalvanic effect in ZnO epitaxial films

We report a strong circular photogalvanic effect (CPGE) in ZnO epitaxial films under interband excitation. It is observed that CPGE current is as large as 100 nA/W in ZnO, which is about one order in magnitude higher than that in InN film while the CPGE currents in GaN films are not detectable. The possible reasons for the above observations are the strong spin orbit coupling in ZnO or the inversed valence band structure of ZnO.

Band crossing in isovalent semiconductor alloys with large size mismatch: First-principles calculations of the electronic structure of Bi and N incorporated GaAs

For large size- and chemical-mismatched isovalent semiconductor alloys, such as N and Bi substitution on As sites in GaAs, isovalent defect levels or defect bands are introduced. The evolution of the defect states as a function of the alloy concentration is usually described by the popular phenomenological band anticrossing (BAC) model. Using first-principles band-structure calculations we show that at the impurity limit the N-(Bi)-induced impurity level is above (below) the conduction- (valence-) band edge of GaAs. These trends reverse at high concentration, i.e., the conduction-band edge of GaAs1-xNx becomes an N-derived state and the valence-band edge of GaAs1-xBix becomes a Bi-derived state, as expected from their band characters. We show that this band crossing phenomenon cannot be described by the popular BAC model but can be naturally explained by a simple band broadening picture.

Near-Infrared Femtosecond Laser for Studying the Strain in Si1-xGex Alloy Films via Second-Harmonic Generation

The second-harmonic generation (SHG) from Si1-xGex alloy films has been investigated by near-infrared femtosecond laser. Recognized by s-out polarized SHG intensity versus rotational angle of sample, the crystal symmetry of the fully strained Si0.83Ge0.17 alloy is found changed from the O-h to the C-2 point group due to the inhomogeneity of the strain. Calibrated by double crystal X-ray diffraction, the strain-induced chi((2)) is estimated at 5.7 x 10(-7) esu. According to the analysis on p-in/s-out SHG, the strain-relaxed Si0.10Ge0.90 alloy film is confirmed to be not fully relaxed, and the remaining strain is quantitatively determined to be around 0.1%.

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.

EFFECT OF TOTAL HYDROGEN CONTENT IN SILICON-NITRIDE SENSITIVE FILM ON PERFORMANCE OF ISFET

Quantitative determinations of the hydrogen content and its profile in silicon nitride sensitive films by the method of resonant nuclear reaction have been carried out. At a deposition temperature of 825-degrees-C, hydrogen exists in an LPCVD silicon nitride sensitive film and the hydrogen content on its surface is in the range (8-16) x 10(21) cm-3, depending on the different deposition processes used. This hydrogen content is larger than the (2-3) x 10(21) cm-3 in its interior part, which is homogeneous. Meanwhile, we observe separate peaks for the chemical bonding configurations of Si-H and N-H bonds, indicated by the infrared absorption bands Si-O (1106 cm-1), N-H (1200 cm-1), Si-H-3 (2258 cm-1) and N-H-2 (3349 cm-1), respectively. The worse linear range of the ISFET is caused by the presence of oxygen on the surface of the silicon nitride sensitive film. The existence of chemical bonding configurations of Si-H, N-H and N-Si on its surfaces is favourable for its pH response.