Calculation of valence subband structures for strained GaInP/AlGaInP quantum wells without axial approximation

Usually in the calculation of valence subband structure for III-V direct bandgap material, axial approximation had been used in the Luttinger-Kohn model to simplify the computational efforts. In this letter, the valence subband structure for the GaInP/AlGaInP strained and lattice-matched quantum wells was calculated without axial approximation, on the basis of 6x6 Luttinger-Kohn Hamiltonian including strain and spin-orbit splitting effects. The numerical simulation results were presented with help of the finite-difference methods. The calculation results with/without axial approximation were compared and the effect of axial approximation on the valence subband structure was discussed in detail. The results indicated that there was a strong warping in the GaInP valence band, and axial approximation can lead to an error when k was not equal to zero, especially for compressively strained and lattice-matched GaInP/AlGaInP quantum wells.

Valence band offset of ZnO/BaTiO3 heterojunction measured by X-ray photoelectron spectroscopy

X-ray photoelectron spectroscopy has been used to measure the valence band offset of the ZnO/BaTiO3 heterojunction grown by metal-organic chemical vapor deposition. The valence band offset (VBO) is determined to be 0.48 +/- 0.09 eV, and the conduction band offset (CBO) is deduced to be about 0.75 eV using the band gap of 3.1 eV for bulk BaTiO3. It indicates that a type-II band alignment forms at the interface, in which the valence and conduction bands of ZnO are concomitantly higher than those of BaTiO3. The accurate determination of VBO and CBO is important for use of semiconductor/ferroelectric heterojunction multifunctional devices.

Influence of band bending and polarization on the valence band offset measured by x-ray photoelectron spectroscopy

The influence of band bending and polarization on the valence band offset measured by x-ray photoelectron spectroscopy (XPS) is discussed, and a modification method based on a modified self-consistent calculation is proposed to eliminate the influence and thus increasing the precision of XPS. Considering the spontaneous polarization at the surfaces and interfaces and the different positions of Fermi levels at the surfaces, we compare the energy band structures of Al/Ga-polar AlN/GaN and N-polar GaN/AlN heterojunctions, and give corrections to the XPS-measured valence band offsets. Other AlN/GaN heterojunctions and the piezoelectric polarization are also introduced and discussed in this paper.

Measurement of GaN/Ge(001) Heterojunction Valence Band Offset by X-Ray Photoelectron Spectroscopy

X-ray photoelectron spectroscopy has been used to measure the valence band offset (VBO) at the GaN/Ge heterostructure interface. The VBO is directly determined to be 1.13 +/- 0.19 eV, according to the relationship between the conduction band offset Delta E-C and the valence band offset Delta E-V : Delta E-C = E-g(GaN) - E-g(Ge) - Delta E-V, and taking the room-temperature band-gaps as 3.4 and 0.67 eV for GaN and Ge, respectively. The conduction band offset is deduced to be 1.6 +/- 0.19 eV, which indicates a type-I band alignment for GaN/Ge. Accurate determination of the valence and conduction band offsets is important for the use of GaN/Ge based devices.

Valence band offset of MgO/TiO2 (rutile) heterojunction measured by X-ray photoelectron spectroscopy

The valence band offset (VBO) of MgO/TiO2 (rutile) heterojunction has been directly measured by Xray photoelectron spectroscopy. The VBO of the heterojunction is determined to be 1.6 +/- 0.3 eV and the conduction band offset (CBO) is deduced to be 3.2 +/- 0.3 eV, indicating that the heterojunction exhibits a type-I band alignment. These large values are sufficient for MgO to act as tunneling barriers in TiO2 based devices. The accurate determination of the valence and conduction band offsets is important for use of MgO as a buffer layer in TiO2 based field-effect transistors and dye-sensitized solar cells.

Valence hole subbands and optical gain spectra of GaN/Ga1-xAlxN strained quantum wells

The valence hole subbands, TE and TM mode optical gains, transparency carrier density, and radiative current density of the zinc-blende GaN/Ga0.85Al0.15N strained quantum well (100 Angstrom well width) have been investigated using a 6 X 6 Hamiltonian model including the heavy hole, Light hole, and spin-orbit split-off bands. At the k = 0 point, it is found that the light hole strongly couples with the spin-orbit split-off hole, resulting in the so+lh hybrid states. The heavy hole does not couple with the light hole and the spin-orbit split-off hole. Optical transitions between the valence subbands and the conduction subbands obey the Delta n=0 selection rule. At the k not equal 0 points, there is strong band mixing among the heavy hole, light hole, and spin-orbit split-off hole. The optical transitions do not obey the Delta n=0 selection rule. The compressive strain in the GaN well region increases the energy separation between the so1+lh1 energy level and the hh1 energy level. Consequently, the compressive strain enhances the TE mode optical gain, and strongly depresses the TM mode optical gain. Even when the carrier density is as large as 10(19) cm(-3), there is no positive TM mode optical gain. The TE mode optical gain spectrum has a peak at around 3.26 eV. The transparency carrier density is 6.5 X 10(18) cm(-3), which is larger than that of GaAs quantum well. The compressive strain overall reduces the transparency carrier density. The J(rad) is 0.53 kA/cm(2) for the zero optical gain. The results obtained in this work will be useful in designing quantum well GaN laser diodes and detectors. (C) 1996 American Institute of Physics.

Calculation of Valence Subband Structures for Strained Quantum-Wells by Plane Wave Expansion Method Within 6 * 6 Luttinger-Kohn Model

The valence subband energies and wave functions of a tensile strained quantum well are calculated by the plane wave expansion method within the 6 * 6 Luttinger-Kohn model. The effect of the number and period of plane-waves used for expansion on the stability of energy eigenvalues is examined. For practical calculation, it should choose the period large sufficiently to ensure the envelope functions vanish at the boundary and the number of plane waves large enough to ensure the energy eigenvalues keep unchanged within a prescribed range.

The growth of ZnO on bcc-In2O3 buffer layers and the valence band offset determined by X-ray photoemission spectroscopy

This work was supported by the 863 High Technology R&D Program of China (Grant Nos. 2007AA03Z402 and 2007AA03Z451), the Special Funds for Major State Basic Research Project (973 program) of China (Grant No. 2006CB604907), and the National Science Foundation of China (Grant Nos. 60506002 and 60776015). The authors express their appreciation to Dr. Tieying Yang and Prof. Huanhua Wang (Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences) for XRD measurements and helpful discussions.

Configuration of the valence neutrons of B-17

The reaction cross section of B-17 on C-12 target at (43.7 +/- 2.4) MeV/u has been measured at the Radioactive Ion Beam Line in Lanzhou (RIBLL). The root-mean-square matter radius (R-rms) was deduced to be (2.92 +/- 0.10) fm, while the R-rms of the core and the valence neutron distribution are 2.28 fm and 5.98 fm respectively. Assuming a "core plus 2n" structure in B-17, the mixed configuration of (2s(1/2)) and (1d(5/2)) of the valence neutrons is studied and the s-wave spectroscopic factor is found to be (80 +/- 21)%.

Nanotubes of mixed-valence, transition metal compounds synthesized by solution phase approach

A solution-phase approach to synthesize four kinds of mixed-valence, transition metal compounds nanotube is described. The approach is based on the self-assembly of siloxane sol. The resulted production of mixed-valence, transition metal compounds share a common structural characteristic of tubular geometrical morphology, at least for the ones we studied. The results demonstrate that the synthesis strategy can be a general route for preparation of compound nanotubes. In addition, the size control of nanotubular materials can be easily achieved through varying the ionic strength of solution. Based on the strategy, the diameters of ultrathin Ru-Fe nanotubes can be easily tuned between 100 nm and 800 nm.

Self-assembly of a water chain with tetrameric and decameric clusters in the channel of a mixed-valence (CuCuII)-Cu-I complex

The reaction of Cu(BF4)(2) with pyridine-2,6-dicarboxylic acid (H(2)pydc) and trans-1,2-bis(4-pyridyl)ethylene (bpe) under hydrothermal conditions afforded a porous mixed-valence (CuCuII)-Cu-I coordination polymer. Coexistence of tetrameric and decameric water clusters within the channels of the complex leads to a novel water chain. The metal-organic framework provides both hydrophilic and hydrophobic environments for stabilizing the clusters and retains its integrity upon dehydration and rehydration.