Gap states and microstructure of microcrystalline silicon thin films

The density of states (DOS) above Fermi level of hydrogenated microcrystalline silicon (mu c-Si H) films is correlated to the material microstructure. We use Raman scattering and infrared absorption spectra to characterize the structure of the films made with different hydrogen dilution ratios. The DOS of the films is examined by modulated photocurrent measurement. The results have been accounted for in the framework of a three-phase model comprised of amorphous and crystalline components, with the grain boundary as the third phase. We observed that the DOS increases monotonically as the grain boundary volume fractions f(gb) is increased, which indicates a positive correlation between the DOS and the grain boundary volume fraction.

Design of Narrow-Gap TiO2: A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity

To improve the photoelectrochemical activity of TiO2 for hydrogen production through water splitting, the band edges of TiO2 should be tailored to match with visible light absorption and the hydrogen or oxygen production levels. By analyzing the band structure of TiO2 and the chemical potentials of the dopants, we propose that the band edges of TiO2 can be modified by passivated codopants such as (Mo+C) to shift the valence band edge up significantly, while leaving the conduction band edge almost unchanged, thus satisfying the stringent requirements. The design principle for the band-edge modification should be applicable to other wide-band-gap semiconductors.

Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study

Using a first-principles band-structure method and a special quasirandom structure (SQS) approach, we systematically calculate the band gap bowing parameters and p-type doping properties of (Zn, Mg, Be)O related random ternary and quaternary alloys. We show that the bowing parameters for ZnBeO and MgBeO alloys are large and dependent on composition. This is due to the size difference and chemical mismatch between Be and Zn(Mg) atoms. We also demonstrate that adding a small amount of Be into MgO reduces the band gap indicating that the bowing parameter is larger than the band-gap difference. We select an ideal N atom with lower p atomic energy level as dopant to perform p-type doping of ZnBeO and ZnMgBeO alloys. For N doped in ZnBeO alloy, we show that the acceptor transition energies become shallower as the number of the nearest neighbor Be atoms increases. This is thought to be because of the reduction of p-d repulsion. The N-O acceptor transition energies are deep in the ZnMgBeO quaternary alloy lattice-matched to GaN substrate due to the lower valence band maximum. These decrease slightly as there are more nearest neighbor Mg atoms surrounding the N dopant. The important natural valence band alignment between ZnO, MgO, BeO, ZnBeO, and ZnMgBeO quaternary alloy is also investigated.

Strain relaxation and band-gap tunability in ternary InxGa1-xN nanowires

The alloy formation enthalpy and band structure of InGaN nanowires were studied by a combined approach of the valence-force field model, Monte Carlo simulation, and density-functional theory (DFT). For both random and ground-state structures of the coherent InGaN alloy, the nanowire configuration was found to be more favorable for the strain relaxation than the bulk alloy. We proposed an analytical formula for computing the band gap of any InGaN nanowires based on the results from the screened exchange hybrid DFT calculations, which in turn reveals a better band-gap tunability in ternary InGaN nanowires than the bulk alloy.

Raman scattering from GaP nanowires

A complete Raman study of GaP nanowires is presented. By comparison with the Raman spectra of GaP bulk material, microcrystals and nanoparticles, we give evidence that the Raman spectrum is affected by the one-dimensional shape of the nanowires. The Raman spectrum is sensitive to the polarization of the laser light. A specific shape of the overtones located between 600 and 800 cm(-1) is actually a signature of the nanowires. Some phonon confinement and thermal behavior is also observed for nanowires.

Two-dimensional photonic band-gap defect modes with deformed lattice

A numerical study of the defect modes in two-dimensional photonic crystals with deformed triangular lattice is presented by using the supercell method and the finite-difference time-domain method. We find the stretch or shrink of the lattice can bring the change not only on the frequencies of the defect modes but also on their magnetic field distributions. We obtain the separation of the doubly degenerate dipole modes with the change of the lattice and find that both the stretch and the shrink of the lattice can make the dipole modes separate large enough to realize the single-mode emission. These results may be advantageous to the manufacture of photonic crystal lasers and provide a new way to realize the single-mode operation in photonic crystal lasers.

Band gap narrowing in heavily B doped Si1-xGex strained layers

This paper presents a comprehensive study of the effect of heavy B doping and strain in Si1-xGex strained layers. On the one hand, bandgap narrowing (BGN) will be generated due to the heavy doping, on the other hand, the dopant boron causes shrinkage in the lattice constant of SiGe materials, thus will compensate for part of the strain. Taking the strain compensation of B into account for the first time and uesing the with semi-empirical method, the Jain-Roulston model is modified. And the real BGN distributed between the conduction and valence bands is calculated, which is important for the accurate design of SiGe HBTs.

Tunable ultra-narrow band-gap of anomalous dispersion photonic crystals

We use the transfer-matrix method to research the band structures in one-dimensional photonic crystals composed of anomalous dispersion material ( saturated atomic cesium vapor). Our calculations show that that type of photonic crystal possesses an ultra-narrow photonic band gap and this band gap is tunable when altering the electron population in the atomic ground state of the anomalous dispersion material by the optical pumping method. Copyright (C) EPLA, 2007.

Electronic structure and g factors of narrow-gap zinc-blende nanowires and nanorods

The Hamiltonian in the framework of eight-band effective-mass approximation of the zinc-blende nanowires and nanorods in the presence of external homogeneous magnetic field is given in the cylindrical coordinate. The electronic structure, optical properties, magnetic energy levels, and g factors of the nanowires and nanorods are calculated. It is found that the electron states consist of many hole-state components, due to the coupling of the conduction band and valence band. For the normal bands which are monotone functions of |k(z)|, long nanorods can be modeled by the nanowires, the energy levels of the nanorods approximately equal the values of the energy band E(k(z)) of the nanowires with the same radius at a special k(z), where k(z) is the wave vector in the wire direction. Due to the coupling of the states, some of the hole energy bands of the nanowires have their highest points at k(z)=0. Especially, the highest hole state of the InSb nanowires is not at the k(z)=0 point. It is an indirect band gap. For these abnormal bands, nanorods can not be modeled by the nanowires. The energy levels of the nanorods show an interesting plait-like pattern. The linear polarization factor is zero, when the aspect ratio L/2R is smaller than 1, and increases as the length increases. The g(z) and g(x) factors as functions of the k(z), radius R and length L are calculated for the wires and rods, respectively. For the wires, the g(z) of the electron ground state increases, and the g(z) of the hole ground state decreases first, then increases with the k(z) increasing. For the rods, the g(z) and g(x) of the electron ground state decrease as the R or the L increases. The g(x) of the hole ground state decreases, the g(z) of the hole ground state increases with the L increasing. The variation of the g(z) of the wires with the k(z) is in agreement with the variation of the g(z) of the rods with the L.

Biaxial stress dependence of the electrostimulated near-band-gap spectrum of GaN epitaxial film grown on (0001) sapphire substrate

The biaxial piezospectroscopic coefficient (i.e., the rate of spectral shift with stress) of the electrostimulated near-band-gap luminescence of gallium nitride (GaN) was determined as Pi=-25.8 +/- 0.2 meV/GPa. A controlled biaxial stress field was applied on a hexagonal GaN film, epitaxially grown on (0001) sapphire using a ball-on-ring biaxial bending jig, and the spectral shift of the electrostimulated near-band-gap was measured in situ in the scanning electron microscope. This calibration method can be useful to overcome the lack of a bulk crystal of relatively large size for more conventional uniaxial bending calibrations, which has so far hampered the precise determination of the piezospectroscopic coefficient of GaN. The main source of error involved with the present calibration method is represented by the selection of appropriate values for the elastic stiffness constants of both film and substrate. The ball-on-ring calibration method can be generally applied to directly determine the biaxial-stress dependence of selected cathodoluminescence bands of epilayer/substrate materials without requiring separation of the film from the substrate. (c) 2006 American Institute of Physics.

Band gap renormalization and carrier localization effects in InGaN/GaN quantum-wells light emitting diodes with Si doped barriers

The optical properties of two kinds of InGaN/GaN quantum-wells light emitting diodes, one of which was doped with Si in barriers while the other was not, are comparatively investigated using time-integrated photoluminescence and time-resolved photoluminescence techniques. The results clearly demonstrate the coexistence of the band gap renormalization and phase-space filling effect in the structures with Si doped barriers. It is surprisingly found that photogenerated carriers in the intentionally undoped structures decay nonexponentially, whereas carriers in the Si doped ones exhibit a well exponential time evolution. A new model developed by O. Rubel, S. D. Baranovskii, K. Hantke, J. D. Heber, J. Koch, P. Thomas, J. M. Marshall, W. Stolz, and W. H. Ruhle [J. Optoelectron. Adv. Mater. 7, 115 (2005)] was used to simulate the decay curves of the photogenerated carriers in both structures, which enables us to determine the localization length of the photogenerated carriers in the structures. It is found that the Si doping in the barriers not only leads to remarkable many-body effects but also significantly affects the carrier recombination dynamics in InGaN/GaN layered heterostructures. (c) 2006 American Institute of Physics.

Study on the Raman spectra of GaP nanorods synthesized within carbon nanotube templates

The Raman spectra of GaP nanorods grown in carbon nanotube templates have been reported. The red shifts of the TO and LO modes were observed due to phonon confinement effect in GaP nanorods. The measured red shifts range from 2 to 10cm(-1) depending on the size of the measured nanorods. It has been found that the polarization properties, which cannot be well explained by the selection rules of single nanorod, result from the direction disorder of nanorods in the measured area. The more the disorder is, the weaker the directionality of polarization properties is. The decrease of the Raman frequency of the TO and LO mode of the nanorods with the increasing power of the exciting laser suggests that the heating effect of the nanorods is far stronger than the bulk material. In addition, the saturation and then decrease of the Raman intensity with the increasing laser power indicate the rapid increase of the defects in the nanorods exposed to a strong exciting laser.

Study on optical band gap of boron-doped nc-Si : H film

The optical band gap (E-g) of the boron (B)-doped hydrogenated nano-crystalline silicon (nc-Si:H) films fabricated using plasma enhanced chemical vapor deposition (PECVD) was investigated in this work. The transmittance of the films were measured by spectrophotometric and the E-g was evaluated utilizing three different relations for comparison, namely: alphahnu=C(hnu-E-g)(3), alphahnu=B-0(hnu-E-g)(2), alphahnu=C-0(hnu-E-g)(2). Result showed that E-g decreases with the increasing of Boron doping ratio, hydrogen concentration, and substrate's temperature (T-s), respectively. E-g raises up with rf power density (P-d) from 0.45W.cm(-2) to 0.60w.cm(-2) and then drops to the end. These can be explained for E-g decreases with disorder in the films.

Gap states of hydrogenated amorphous silicon near and above the threshold of microcrystallinity with subtle boron compensation

The effects of hydrogen dilution, subtle boron compensation, and light-soaking on the gap states of hydrogenated amorphous silicon films (a-Si:H) near and above the threshold of microcrystallinity have been investigated in detail by the constant photocurrent method and the improved phase-shift analysis of modulated photocurrent technique. It is shown that high hydrogen dilution near the threshold of microcrystallinity leads to a more ordered network structure and to the redistribution of gap states; it gives rise to a small peak at about 0.55 eV and a shoulder at about 1.2 eV below the conduction band edge, which are associated with the formation of microcrystallites embedded in the amorphous silicon host matrix. A concurrent subtle boron compensation is demonstrated to prevent excessive formation of microcrystallinity, and to help promote the growth of the ordered regions and reduce the density of gap defect states, particularly those associated with microcrystallites. Hydrogen-diluted and appropriately boron-compensated a-Si:H films deposited near the threshold of microcrystallinity show the lowest density of the defects in both the annealed and light-soaked states, and hence, the highest performance and stability. (C) 2001 American Institute of Physics.

Competition between band gap and yellow luminescence in undoped GaN grown by MOVPE on sapphire substrate

Undoped GaN epilayer on c-face (0 0 0 1) sapphire substrate has been grown by metalorganic vapor-phase epitaxy (MOVPE) in a horizontal-type low-pressure two-channel reactor. Photoluminescence (PL) as a function of temperature and excitation intensity have been systematically studied, and the competition between near band gap ultraviolet (UV) and defect-related yellow luminescence (YL) has been extensively investigated, It is revealed that the ratio of the UV-to-YL peak intensities depends strongly on the excitation intensity and the measurement temperature. The obtained results have been analyzed in comparison with the theoretical predications based on a bimolecular model. (C) 2001 Elsevier Science B.V. All rights reserved.