Sixfold symmetry of excitonic transition energies in c-plane for wurtzite GaN

The optical properties of the strained wurtzite GaN are investigated theoretically within the nearest neighbor tight-binding method. The piezoelectric effect is also taken into account. The empirical rule has been used in the strained band-structure calculation. The results show that the excitonic transition energies are anisotropic in the c-plane in a high electronic concentration system and have a 60 degrees periodicity, which is in agreement with experiment. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.3001937]

Magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO: First-principles calculations

The electronic structure and magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO have been investigated using first-principles methods. We show that the magnetic coupling between Gd or Nd ions in the nearest neighbor sites is ferromagnetic. The stability of the ferromagnetic coupling between Gd ions can be enhanced by appropriate electron doping into ZnO Gd system and the room-temperature ferromagnetism can be achieved. However, for ZnO Nd system, the ferromagnetism between Nd ions can be enhanced by appropriate holes doping into the sample. The room-temperature ferromagnetism can also be achieved in the n-conducting ZnO Nd sample. Our calculated results are in good agreement with the conclusions of the recent experiments. The effect of native defects (V-Zn, V-O) on the ferromagnetism is also discussed. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3176490]

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.

Mutual passivation of donors and isovalent nitrogen in GaAs

We study the mutual passivation of shallow donor and isovalent N in GaAs. We find that all the donor impurities, Si-Ga, Ge-Ga, S-As, and Se-As, bind to N in GaAsN, which has a large N-induced band-gap reduction relative to GaAs. For a group-IV impurity such as Si, the formation of the nearest-neighbor Si-Ga-N-As defect complex creates a deep donor level below the conduction band minimum (CBM). The coupling between this defect level with the CBM pushes the CBM upwards, thus restoring the GaAs band gap; the lowering of the defect level relative to the isolated Si-Ga shallow donor level is responsible for the increased electrical resistivity. Therefore, Si and N mutually passivate each other's electrical and optical activities in GaAs. For a group-VI shallow donor such as S, the binding between S-As and N-As does not form a direct bond; therefore, no mutual passivation exists in the GaAs(S+N) system.

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].

移动对象在空间网络数据库上的kNN查询

中国计算机学会

Optical response in a quantum dot superlattice nanoring under a lateral electric field

The optical absorption of a GaAs/AlGaAs quantum dot superlattice nanoring (QDSLNR) under a lateral dc electric field and with magnetic flux threading the ring is investigated. This structure and configuration provides a unique opportunity to study the optical response of a superlattice under an inhomogeneous electric field, which is not easily realized for general quantum well superlattices (QWSLs) but naturally realized for QDSLNRs under a homogeneous lateral electric field. It has been shown that a lateral dc electric field gives rise to a substantial change of the optical absorption spectra. Under a low field, the excitonic optical absorption is dominated by a 1s exciton. And with the electric field increasing, the optical absorption undergoes a transition from 1s excitonic absorption to 0 excitronic WSL absorption. (The number of 0, and -1 and +1 below are WSLs index.) The -1 and the +1 WSLs corresponding to the maximum effective field can also be identified. Due to the inhomogeneity of the electric field, the peaks of the -1 and the +1 WSLs are diminished and between them there exist rich and complicated structures. This is in contrast to the general QWSLs under a homogenous electric field. The complicated structures can be understood by considering the inhomogeneity of the electric field along the ring, which results in the nearest-neighbor transition, the next-nearest-neighbor transition, etc., have a different value repectively, at different sites along the ring. This may give rise to multiple WSLs. We have also shown that the line shape of the optical absorption is not sensitive to the threading magnetic flux. The threading magnetic flux only gives rise to a slight diamagnetic shift. Thus the enhancement of the sensitivity to the flux allowing for observation of the excitonic Aharanov-Bohm effect in the plain nanoring is not expected in QDSLNRs.

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.

New parameters of many-body potentials: studying the thermal and mechanical properties of noble metals

New parameters of nearest-neighbor EAM (1N-EAM), n-th neighbor EAM (NN-EAM), and the second-moment approximation to the tight-binding (TB-SMA) potentials are obtained by fitting experimental data at different temperatures. In comparison with the available many-body potentials, our results suggest that the 1N-EAM potential with the new parameters is the best description of atomic interactions in studying the thermal expansion of noble metals. For mechanical properties, it is suggested that the elastic constants should be calculated in the experimental zero-stress states for all three potentials. Furthermore, for NNEAM and TB-SMA potentials, the calculated results approach the experimental data as the range of the atomic interaction increases from the first-neighbor to the sixth-neighbor distance.

DECODE: a new method for discovering clusters of different densities in spatial data

National Key Basic Research and Development Program of China [2006CB701305]; State Key Laboratory of Resource and Environment Information System [088RA400SA]; Chinese Academy of Sciences

MULTIVARIATE CLASSIFICATION BASED ON METAL CONTENTS IN HUMAN SENILE CATARACT LENSES

Multivariate classification methods were used to evaluate data on the concentrations of eight metals in human senile lenses measured by atomic absorption spectrometry. Principal components analysis and hierarchical clustering separated senile cataract lenses, nuclei from cataract lenses, and normal lenses into three classes on the basis of the eight elements. Stepwise discriminant analysis was applied to give discriminant functions with five selected variables. Results provided by the linear learning machine method were also satisfactory; the k-nearest neighbour method was less useful.

基于模糊集理论的二维线性鉴别分析新方法

二维线性鉴别分析（2DLDA）是一种直接基于矩阵的特征提取方法，跳过传统的基于Fisher鉴别准则的线性鉴别分析方法中必须先将二维矩阵转化成一维矢量的过程，有效地提高了特征提取速度且避免了小样本问题，其识别率优于传统的Fisherface方法。结合模糊集理论，提出了一种新的2DLDA算法——模糊2DLDA（FIDLDA）算法。首先采用FKNN算法得到相应的样本分布信息，并按其对最后得到的特征向量所作的贡献融入到特征抽取过程中，得到有效的样本特征向量集。实验表明，F2DLDA算法的性能优于传统的2DLDA算法和Fisherface方法。

认知电位时空模式研究

This report mainly focused on methodology of spatiotemporal patterns (STP) of cognitive potentials or event-related potentials (ERP). The representation of STP of brain wave is an important issue in the research of neural assemblies. This paper described methods of parametric 3D head or brain modeling and its corresponding interpolation for functional imaging based on brain waves. The 3D interpolation method is an extension of cortical imaging technique. It can be used with transformed domain features of brain wave on realistic head or brain models. The simulating results suggests that it is a better method in comparison with the global nearest neighbor technique. A stable and definite STP of brainwave referred as microstate may become basic element for comprehending sophisticated cognitive processes. Fuzzy c-mean algorithm was applied to segmentation STPs of ERP into microstates and corresponding membership functions. The optimal microstate number was estimated with both the trends of objective function against increasing clustering number and the decorrelation technique base don microstate shape similarity. Comparable spatial patterns may occur at different moments in time with fuzzy indices and thus the serial processing limit generated from behavioral methods has been break through. High-resolution frequency domain analysis was carried out with multivariate autoregressive model. Bases on a 3D interpolation mentioned above, visualization of dynamical coordination of cerebral network was realized with magnitude-squared partial coherence. Those technique illustrated with multichannel ERP of 9 subjects when they undertook Strop task. Stroop effects involves several regions during post-perception stage with technique of statistical parameter mapping based F-test [SPM(F)]. As SPM(F) suggested task effects occurred within 100 ms after stimuli presentation involved several sensory regions, it may reflect the top-down processing effect.

Fast Pose Estimation with Parameter Sensitive Hashing

Example-based methods are effective for parameter estimation problems when the underlying system is simple or the dimensionality of the input is low. For complex and high-dimensional problems such as pose estimation, the number of required examples and the computational complexity rapidly becme prohibitively high. We introduce a new algorithm that learns a set of hashing functions that efficiently index examples relevant to a particular estimation task. Our algorithm extends a recently developed method for locality-sensitive hashing, which finds approximate neighbors in time sublinear in the number of examples. This method depends critically on the choice of hash functions; we show how to find the set of hash functions that are optimally relevant to a particular estimation problem. Experiments demonstrate that the resulting algorithm, which we call Parameter-Sensitive Hashing, can rapidly and accurately estimate the articulated pose of human figures from a large database of example images.

Aiding classification of gene expression data with feature selection: a comparative study

C. Shang and Q. Shen. Aiding classification of gene expression data with feature selection: a comparative study. Computational Intelligence Research, 1(1):68-76.