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.

具有不完全微分的Fuzzy-GA PID控制器及其在智能仿生人工腿中的应用

以模糊推理和遗传算法为基础，提出了一种新的具有不完全微分的最优PID控制器的设计方法，该控制器由离线和在线两部分组成，在离线部分，以系统响应的超调量、上升时间以及调整时间为性能指标，利用遗传算法搜索出一组最优的PID参数Kp^*、Ti^*和Td^*，作为在线部分调整的初始值，在在线部分，一个专用的PID参数优化程序以离线部分获得Kp^*、Ti^*和Td^*为基础，根据系统当前的误差e和误差变化率e^.，通过一个模糊推理系统在线调整系统瞬态响应的PID参数，以确保系统的响应具有最优的动态和稳态性能．该控制器已被用来控制由作者设计的智能仿生人工腿中的执行电机．计算机仿真结果表明，该控制器具有良好的控制性能和鲁棒性能。