First-principles study of the electronic structures and magnetic properties of 3d transition metal-doped anatase TiO2

We study the electronic structures and magnetic properties of the anatase TiO2 doped with 3d transition metals (V, Cr, Mn, Fe, Co, Ni), using first-principles total energy calculations based on density functional theory (DFT). Using a molecular-orbital bonding model, the electronic structures of the doped anatase TiO2 are well understood. A band coupling model based on d-d level repulsions between the dopant ions is proposed to understand the chemical trend of the magnetic ordering. Ferromagnetism is found to be stabilized in the V-, Cr-, and Co-doped samples if there are no other carrier native defects or dopants. The ferromagnetism in the Cr- and Co-doped samples may be weakened by the donor defects. In the Mn-, and Fe-doped samples, the ferromagnetism can be enhanced by the acceptor and donor defects, respectively.

First-Principles Study of Magnetic Properties of 3d Transition Metals Doped in ZnO Nanowires

The defect formation energies of transition metals (Cr, Fe, and Ni) doped in the pseudo-H passivated ZnO nanowires and bulk are systematically investigated using first-principles methods. The general chemical trends of the nanowires are similar to those of the bulk. We also show that the formation energy increases as the diameter of the nanowire decreases, indicating that the doping of magnetic ions in the ZnO nanowire becomes more difficult with decreasing diameter. We also systematically calculate the ferromagnetic properties of transition metals doped in the ZnO nanowire and bulk, and find that Cr ions of the nanowire favor ferromagnetic state, which is consistent with the experimental results. We also find that the ferromagnetic coupling state of Cr is more stable in the nanowire than in the bulk, which may lead to a higher T (c) useful for the nano-materials design of spintronics.

Structural and optical properties of 3D growth multilayer InGaN/GaN quantum dots by metalorganic chemical vapor deposition

Multilayer InGaN/GaN quantum dots (QDs) were grown on sapphire substrates through a three-dimensional growth mode, which was initiated by a special passivation processing introduced into the normal growth procedure. Surface morphology and photoluminescence properties of QDs with different stacking periods (from one to four) were investigated. The temperature dependences of the PL peak energies were found to show a great difference between two-layer and three-layer QDs. The fast redshift and the reversed sigmoidal temperature dependences of the PL energies for the former were attributed to the thermally activated carrier transfer from small to large dots. However, the increase of both the dot size and the spatial space among dots with the growing stacking periods reduced the carrier escape and retrapping. (C) 2004 Elsevier B.V. All rights reserved.

Geometrical learning, descriptive geometry, and biomimetic pattern recognition

Studies on learning problems from geometry perspective have attracted an ever increasing attention in machine learning, leaded by achievements on information geometry. This paper proposes a different geometrical learning from the perspective of high-dimensional descriptive geometry. Geometrical properties of high-dimensional structures underlying a set of samples are learned via successive projections from the higher dimension to the lower dimension until two-dimensional Euclidean plane, under guidance of the established properties and theorems in high-dimensional descriptive geometry. Specifically, we introduce a hyper sausage like geometry shape for learning samples and provides a geometrical learning algorithm for specifying the hyper sausage shapes, which is then applied to biomimetic pattern recognition. Experimental results are presented to show that the proposed approach outperforms three types of support vector machines with either a three degree polynomial kernel or a radial basis function kernel, especially in the cases of high-dimensional samples of a finite size. (c) 2005 Elsevier B.V. All rights reserved.

Blind image restoration based on the theory of high-dimensional space geometry

In practical situations, the causes of image blurring are often undiscovered or difficult to get known. However, traditional methods usually assume the knowledge of the blur has been known prior to the restoring process, which are not practicable for blind image restoration. A new method proposed in this paper aims exactly at blind image restoration. The restoration process is transformed into a problem of point distribution analysis in high-dimensional space. Experiments have proved that the restoration could be achieved using this method without re-knowledge of the image blur. In addition, the algorithm guarantees to be convergent and has simple computation.

Geometry parameter optimization of large cross-sectional S-shaped bent rib waveguides for silicon based optical switches

地址: Chinese Acad Sci, Inst Semicond, State Key Lab Integrated Optoelect, Beijing 100083, Peoples R China

High dimensional imagery geometry and it's applications

Because of information digitalization and the correspondence of digits and the coordinates, Information Science and high-dimensional space have consanguineous relations. With the transforming from the information issues to the point analysis in high-dimensional space, we proposed a novel computational theory, named High dimensional imagery geometry (HDIG). Some computational algorithms of HDIG have been realized using software, and how to combine with groups of simple operators in some 2D planes to implement the geometrical computations in high-dimensional space is demonstrated in this paper. As the applications, two kinds of experiments of HDIG, which are blurred image restoration and pattern recognition ones, are given, and the results are satisfying.

Information geometry theory of high-dimension space and application for speaker independent continuous digit speech recognition

In the light of descriptive geometry and notions in set theory, this paper re-defines the basic elements in space such as curve and surface and so on, presents some fundamental notions with respect to the point cover based on the High-dimension space (HDS) point covering theory, finally takes points from mapping part of speech signals to HDS, so as to analyze distribution information of these speech points in HDS, and various geometric covering objects for speech points and their relationship. Besides, this paper also proposes a new algorithm for speaker independent continuous digit speech recognition based on the HDS point dynamic searching theory without end-points detection and segmentation. First from the different digit syllables in real continuous digit speech, we establish the covering area in feature space for continuous speech. During recognition, we make use of the point covering dynamic searching theory in HDS to do recognition, and then get the satisfying recognized results. At last, compared to HMM (Hidden Markov models)-based method, from the development trend of the comparing results, as sample amount increasing, the difference of recognition rate between two methods will decrease slowly, while sample amount approaching to be very large, two recognition rates all close to 100% little by little. As seen from the results, the recognition rate of HDS point covering method is higher than that of in HMM (Hidden Markov models) based method, because, the point covering describes the morphological distribution for speech in HDS, whereas HMM-based method is only a probability distribution, whose accuracy is certainly inferior to point covering.

An algorithm for removing facial makeup disturbances based on high dimensional imaginal geometry

In this paper, a novel algorithm for removing facial makeup disturbances as a face detection preprocess based on high dimensional imaginal geometry is proposed. After simulation and practical application experiments, the algorithm is theoretically analyzed. Its apparent effect of removing facial makeup and the advantages of face detection with this pre-process over face detection without it are discussed. Furthermore, in our experiments with color images, the proposed algorithm even gives some surprises.

Mandarin speech emotion recognition based on high dimensional geometry theory

In this paper, a novel approach for mandarin speech emotion recognition, that is mandarin speech emotion recognition based on high dimensional geometry theory, is proposed. The human emotions are classified into 6 archetypal classes: fear, anger, happiness, sadness, surprise and disgust. According to the characteristics of these emotional speech signals, the amplitude, pitch frequency and formant are used as the feature parameters for speech emotion recognition. The new method called high dimensional geometry theory is applied for recognition. Compared with traditional GSVM model, the new method has some advantages. It is noted that this method has significant values for researches and applications henceforth.

Geometry property of multi-degree of freedom neurons

In this paper, we study a problem of geometric inequalities for a Multi-degree of Freedom Neurons. Some new geometric inequalities for a Multi-degree of Freedom Neurons are established. As special cases, some known inequalities are deduced.

Phylogeny of SARS-CoV based on high-dimensional information geometry

We proposed a novel methodology, which firstly, extracting features from species' complete genome data, using k-tuple, followed by studying the evolutionary relationship between SARS-CoV and other coronavirus species using the method, called "High-dimensional information geometry". We also used the mothod, namely "caculating of Minimum Spanning Tree", to construct the Phyligenetic tree of the coronavirus. From construction of the unrooted phylogenetic tree, we found out that the evolution distance between SARS-CoV and other coronavirus species is comparatively far. The tree accurately rebuilt the three groups of other coronavirus. We also validated the assertion from other literatures that SARS-CoV is similar to the coronavirus species in Group I.

A novel image restoration algorithm based on high-dimensional space geometry

A novel image restoration approach based on high-dimensional space geometry is proposed, which is quite different from the existing traditional image restoration techniques. It is based on the homeomorphisms and "Principle of Homology Continuity" (PHC), an image is mapped to a point in high-dimensional space. Begin with the original blurred image, we get two further blurred images, then the restored image can be obtained through the regressive curve derived from the three points which are mapped form the images. Experiments have proved the availability of this "blurred-blurred-restored" algorithm, and the comparison with the classical Wiener Filter approach is presented in final.

Multiplicity factor and diffraction geometry factor for single crystal X-ray diffraction analysis and measurement of phase content in cubic GaN/GaAs(001) epilayers

On the basis of integrated intensity of rocking curves, the multiplicity factor and the diffraction geometry factor for single crystal X-ray diffraction (XRD) analysis were proposed and a general formula for calculating the content of mixed phases was obtained. With a multifunction four-circle X-ray double-crystal diffractometer, pole figures of cubic (002), {111} and hexagonal {1010} and reciprocal space mapping were measured to investigate the distributive character of mixed phases and to obtain their multiplicity factors and diffraction geometry factors. The contents of cubic twins and hexagonal inclusions were calculated by the integrated intensities of rocking curves of cubic (002), cubic twin {111}, hexagonal {1010} and {1011}.