Predictive entropy search for efficient global optimization of black-box functions

We propose a novel information-theoretic approach for Bayesian optimization called Predictive Entropy Search (PES). At each iteration, PES selects the next evaluation point that maximizes the expected information gained with respect to the global maximum. PES codifies this intractable acquisition function in terms of the expected reduction in the differential entropy of the predictive distribution. This reformulation allows PES to obtain approximations that are both more accurate and efficient than other alternatives such as Entropy Search (ES). Furthermore, PES can easily perform a fully Bayesian treatment of the model hyperparameters while ES cannot. We evaluate PES in both synthetic and real-world applications, including optimization problems in machine learning, finance, biotechnology, and robotics. We show that the increased accuracy of PES leads to significant gains in optimization performance.

Electronic structures of wurtzite ZnO, BeO, MgO and p-type doping in Zn1-xYxO (Y = Mg, Be)

Using the density function theory within the generalized gradient approximation, the band structures of wurtzite ZnO, BeO and MgO have been calculated. The effective-mass parameters are fitted using the calculated eigenvalues. The Dresselhaus spin-orbit effect appears in the k[1 00] direction, and is zero in the high symmetry direction k[00 1]. The orderings of valence band split by the crystal-field and spin-orbit coupling in wurtzite ZnO, BeO and MgO are identified by analyzing the wave function characters calculated by projecting the wave functions onto p-state in the spherical harmonics. For wurtzite ZnO, the ordering of valence band is Still Gamma(7) > Gamma(9) > Gamma(7) due to the negative spin-orbit coupling splitting energy and the positive crystal-field splitting energy. Thus, the Thomas' conclusion is confirmed. For wurtzite BeO and MgO, although their orderings of valence bands are Gamma(7) > Gamma(9) > Gamma(7) too, the origins of their orderings are different from that of wurtzite ZnO. Zn1-x,YxO (Y = Mg, Be) doped with N and P atoms have been studied using first-principles method. The calculated results show that N atom doped in Zn1-x BexO has more shallow acceptor energy level with increasing the concentration of Be atom. (C) 2008 Elsevier B.V. All rights reserved.

n-type Ge-SiGe quantum cascade structure utilizing quantum wells for electrons in the L and Gamma valleys

In this letter, we propose an n-type vertical transition bound-to-continuum Ge-SiGe quantum cascade structure utilizing electronic quantum wells in the L and F valleys of the Ge layers. The optical transition levels are located in the quantum wells in the L valley. Under a bias of 80 kV/cm, the carriers in the lower level are extracted by miniband transport and L - Gamma tunneling into the subband in the Gamma well of the next period. And then the electrons are injected into the upper level by ultrafast intervalley scattering, which not only effectively increases the tunneling rate and suppresses the thermal backfilling of electrons, but also enhances the injection efficiency of the upper level. The performance of the laser is discussed.

Silica-based 64-channel arrayed waveguide gratings with double functions

Silica-based 64-channel arrayed waveguide gratings (AWGs) with double functions and 0.4 nm (50 GHz) channel spacing have been designed and fabricated. On the same component, Gauss and flat-top output response spectra are obtained simultaneously. The test results show that when the insertion loss ranges from 3.5 dB to 6 dB,the crosstalk is better than -34 dB, the 1 dB bandwidth is 0.12 nm, the 3 dB bandwidth is 0,218 nm, and the polarization-dependent loss (PDL) is less than 0.5 dB for Gauss response. When the insertion loss ranges,from 5.8 dB to 7.8 dB, the crosstalk is better than -30 dB, the 1 dB bandwidth is 0.24 nm, the 3 dB bandwidth is 0.33 nm, and the PDL is less than 0.2 dB for flat-top response.

Characterization of stress induced in SOS and Si/gamma-Al2O3/Si heteroepitaxial thin films by Raman spectroscopy

Raman spectroscopy technique has been performed to investigate the stress induced in as-grown silicon-on-sapphire (SOS), solid-phase-epitaxy (SPE) re-grown SOS, and Si/gamma-Al2O3/Si double-heteroepitaxial thin films. It was demonstrated that the residual stress in SOS film, arising from mismatch and difference of thermal expansion coefficient between silicon and sapphire, was reduced efficiently by SPE process, and that the stress in Si/gamma-Al2O3/Si thin film is much smaller than that of as-grown SOS and SPE upgraded SOS films. The stress decrease for double heteroepitaxial film Si/gamma-Al2O3/Si mainly arises from the smaller lattice mismatching of 2.4% between silicon top layer and the gamma-Al2O3/Si epitaxiial composite substrate, comparing with the large lattice mismatch of 13% for SOS films. It indicated that gamma-Al2O3/Si as a silicon-based epitaxial substrate benefits for reducing the residual stress for further growth of silicon layer, compared with on bulk sapphire substrate. (c) 2005 Elsevier B.V. All rights reserved.

An n-type SiGe/Ge QC structure utilizing the deep Ge quantum well for electron at the Gamma point

In this paper, an n-type Si1-xGex/Ge (x >= 0.85) quantum cascade (QC) structure utilizing a deep Ge quantum well for electrons at the Gamma point is proposed. Based on linear interpolation, a conduction band offset at the Gamma point in a Si1-xGex/Ge ( x >= 0.85) heterostructure is presented, which is suitable for designing a QC laser. This approach has the advantages of a large conduction band offset at the Gamma point, a low lattice mismatch between the Si1-xGex/Ge ( x >= 0.85) active layers and the Si1-yGey ( y > x) virtual substrate, a small electron effective mass in the Gamma band, simple conduction energy band structures and a simple phonon scattering mechanism in the Ge quantum well. The theory predicts that if high-energy electrons are continuously injected into the Gamma band, a quasi-equilibrium distribution of electrons between the Gamma and L bands can be reached and held, i.e., electrons with a certain density will be kept in the Gamma band. This result is supported by the intervalley scattering experiments. In n-type Si1-xGex/Ge ( x >= 0.85) QC structures, population inversion between the laser's upper and lower levels is demonstrated.

Peculiar photocurrent response due to Gamma-X coupling in a GaAs/AlAs heterostructure

Peculiar current jumps and hysteresis in current-voltage curves are reported in an illuminated heterostructure consisting basically of a thick AlAs layer and a narrow GaAs quantum well. These novel features come from the photon-assisted transfer of electron-hole pairs and the resultant charge polarization in the structure, mainly caused by the resonant Gamma-X coupling at the heterointerfaces. Using the transfer-matrix method, the simulated current density-voltage curve reproduces the main features of the experimental observations in the case where the influence of resonant Gamma-X coupling at the heterointerfaces is included, further confirming the physical mechanism involved. The structure presented here may be used as a new type of photonic memory cell and also as an optically controlled switch.

Structural and optical properties of ZnO films on Si substrates using a gamma-Al2O3 buffer layer

High quality ZnO films have been successfully grown on a Si (100) substrate by metal organic chemical vapour deposition with a gamma-Al2O3 buffer. The crystal structure, surface morphology and optical properties of the ZnO films were characterized by x-ray diffraction, Raman spectroscopy, atomic force microscopy and photoluminescence (PL) spectroscopy. The propel-ties of the films with the Al2O3 buffer were improved in comparison with those of as-grown ZnO films. It is shown that the ZnO films with the gamma-Al2O3 buffer grown on Si (100) substrates have a highly-preferential c-axis (0002) orientation, a narrow (0002) peak, smooth surface morphology and better PL spectral properties. This demonstrates that the use of gamma-Al2O3/Si as a ZnO substrate is beneficial for reducing the residual stress for further growth of ZnO films, compared with the growth on bulk Si substrates.

Fabrication of novel double-hetero-epitaxial SOT structure Si/gamma-Al2O3/Si

In this paper, we report the fabrication of Si-based double-hetero-epitaxial silicon on insulator (SOI) structure Si/gamma-Al2O3/Si. Firstly, single crystalline gamma-Al2O3(100) insulator films were grown epitaxially on Si(100) using the sources of TMA (Al(CH3)(3)) and O-2 by very low-pressure chemical vapor deposition. Afterwards, Si(100) epitaxial films were grown on gamma-Al2O3 (100)/Si(100) epi-substrates using a chemical vapor deposition method similar to the silicon on sapphire epitaxial growth. The Si/gamma-Al2O3/Si SOL materials are characterized in detail by reflect high-energy electron diffraction, X-ray diffraction and Auger energy spectrum (AES) techniques. The insulator layer of gamma-Al2O3 has an excellent dielectric property. The leakage current is less than 1 x 10(-10) A/cm(2) when the electric field is below 1.3 MV/ cm. The Si film grown on gamma-Al2O3/Si epi-substrates was single crystalline. Meanwhile, the AES depth profile of the SOL structure shows that the composition of gamma-Al2O3 film is uniform, and the carbon contamination is not observed. Additionally, the gamma-Al2O3/Si epi-substrates are suitable candidates as a platform for a variety of active layers such as GaN, SiC and GeSi. It shows a bright future for microelectronic and optical electronics applications. (C) 2002 Elsevier Science B.V. All rights reserved.

Heteroepitaxial growth of novel SOI material Si/gamma-Al2O3/Si

In this paper, we report the fabrication of Si-based double hetero-epitaxial SOI materials Si/gamma-Al2O3/Si. First, single crystalline gamma-Al2O3 (100) insulator films were grown epitaxially on Si(100) by LPCVD, and then, Si(100) epitaxial films were grown on gamma-Al2O3 (100)/Si(100) epi-substrates using a CVD method similar to silicon on sapphire (SOS) epitaxial growth. The Si/gamma-Al2O3 (100)/Si(100) SOI materials are characterized in detail by RHEED, XRD and AES techniques. The results demonstrate that the device-quality novel SOI materials Si/gamma-Al2O3 (100)/Si(100) has been fabricated successfully and can be used for application of MOS device.

Heteroepitaxial growth and annealing of gamma-Al2O3 thin films on silicon

The gamma-Al2O3 films were grown on Si (100) substrates using the sources of TMA (Al (CH3)(3)) and O-2 by very low-pressure chemical vapor deposition (VLP-CVD). It has been found that the gamma-Al2O3 film has a mirror-like surface and the RMS was about 2.5nm. And the orientation relationship was gamma-Al2O3(100)/Si(100). The thickness uniformity of gamma-Al2O3 films for 2-inch epi-wafer was less than 5%. The X-ray diffraction (XRD) and reflection high-energy electron diffraction (RHEED) results show that the crystalline quality of the film was improved after the film was annealed at 1000degreesC in O-2 atmosphere. The high-frequency C-V and leakage current of Al/gamma-Al2O3/Si capacitor were also measured to verify the annealing effect of the film. The results show that the dielectric constant increased from 4 to 7 and the breakdown voltage for 65-nm-thick gamma-Al2O3 film on silicon increases from 17V to 53V.

Very low-pressure VLP-CVD growth of high quality gamma-Al2O3 films on silicon by multi-step process

gamma-Al2O3 films were grown on Si (10 0) substrates using the sources of TMA (AI(CH3)(3)) and O-2 by very low-pressure chemical vapor deposition. The effects of temperature control on the crystalline quality, surface morphology, uniformity and dielectricity were investigated. It has been found that the,gamma-Al2O3 film prepared at a temperature of 1000degreesC has a good crystalline quality, but the surface morphology, uniformity and dielectricity were poor due to the etching reaction between 0, and Si substrate in the initial growth stage. However, under a temperature-varied multi-step process the properties Of gamma-Al2O3 film were improved. The films have a mirror-like surface and the dielectricity was superior to that grown under a single-step process. The uniformity of gamma-Al2O3 films for 2-in epi-wafer was <5%, it is better than that disclosed elsewhere. In order to improve the crystalline quality, the gamma-Al2O3 films were annealed for I h in O-2 atmosphere. (C) 2002 Elsevier Science B.V. All rights reserved.

Raman-forbidden mode and oxygen ordering in Bi2Sr2-xLaxCuO6+gamma single crystals annealed in oxygen

A Raman-forbidden phonon mode at about 840 cm(-1) is observed popularly on the surface of pun and La-doped Bi2Sr2-xLaxCuO6+y (0 less than or equal to x less than or equal to 0.8) single crystals annealed in oxygen. A remarkable excitation dependence of this additional line is found. Based on the properties of the structure of the Bi-O layer with excess oxygen atoms and the similarity in the appearance of the Raman-forbidden modes between RBa2Cu3Ox (R = Y, Nd, Gd, Pr) and Bi2Sr2-xLaxCuO6+y systems, we attribute the manifestation of this additional line to the ordering of the interstitial oxygen in the Bi-O layers. Our results provide Raman evidences for confirming that the ordering of the movable oxygen may exist universally in high-temperature superconductors.

Electronic structures of GaAs/AlAs lateral superlattices

The electronic energy subbands and minigaps in lateral superlattices (LSLs) have been calculated by the plane-wave expansion method. The effect of the lateral modulation on the critical well width at which an indirect-direct (X-Gamma) optical transition occurs in the LSLs is investigated. Our theoretical results are in agreement with the available experimental data. Totally at variance with the previous variation calculational results, the minigaps between the first two subbands in LSLs, as functions of the modulation period, exhibit a maximum value at a specific length and disappear on decreasing the modulation period further. The modulations of several types of lateral potential are also evaluated; the indication is that the out-of-phase modulation on either side of the wells is the strongest while the in-phase modulation is the weakest. Our calculations also show that the effect of the difference between the effective masses of the electrons in the different materials on the subband structures is significant.

Wurtzite GaN epitaxial growth on a Si(001) substrate using gamma-Al2O3 as an intermediate layer

Wurtzite GaN films have been grown on (001) Si substrates using gamma-Al2O3 as an intermediate layer by low pressure (similar to 76 Torr) metalorganic chemical vapor deposition. Reflection high energy electron diffraction and double crystal x-ray diffraction measurements revealed that the thin gamma-Al2O3 layer of "compliant" character was an effective intermediate layer for the GaN film grown epitaxially on Si. The narrowest linewidth of the x-ray rocking curve for (0002) diffraction of the 1.3 mu m GaN sample was 54 arcmin. The orientation relationship of GaN/gamma-Al2O3/Si was (0001) GaN parallel to(001) gamma-Al2O3 parallel to(001) Si, [11-20] GaN parallel to[110] gamma-Al2O3 parallel to[110] Si. The photoluminescence measurement for GaN at room temperature exhibited a near band-edge peak of 365 nm (3.4 eV). (C) 1998 American Institute of Physics.