First-principles study of native point defects in Bi2Se3

Using first-principles method within the framework of the density functional theory, we study the influence of native point defect on the structural and electronic properties of Bi$_2$Se$_3$. Se vacancy in Bi$_2$Se$_3$ is a double donor, and Bi vacancy is a triple acceptor. Se antisite (Se$_{Bi}$) is always an active donor in the system because its donor level ($\varepsilon$(+1/0)) enters into the conduction band. Interestingly, Bi antisite(Bi$_{Se1}$) in Bi$_2$Se$_3$ is an amphoteric dopant, acting as a donor when $\mu$$_e$$<$0.119eV (the material is typical p-type) and as an acceptor when $\mu$$_e$$>$0.251eV (the material is typical n-type). The formation energies under different growth environments (such as Bi-rich or Se-rich) indicate that under Se-rich condition, Se$_{Bi}$ is the most stable native defect independent of electron chemical potential $\mu$$_e$. Under Bi-rich condition, Se vacancy is the most stable native defect except for under the growth window as $\mu$$_e$$>$0.262eV (the material is typical n-type) and $\Delta$$\mu$$_{Se}$$<$-0.459eV(Bi-rich), under such growth windows one negative charged Bi$_{Se1}$ is the most stable one.Comment: 7 pages, 4 figure

Pure multiplicative stochastic resonance of anti-tumor model with seasonal modulability

The effects of pure multiplicative noise on stochastic resonance in an anti-tumor system modulated by a seasonal external field are investigated by using theoretical analyses of the generalized potential and numerical simulations. For optimally selected values of the multiplicative noise intensity quasi-symmetry of two potential minima and stochastic resonance are observed. Theoretical results and numerical simulations are in good quantitative agreement.Comment: 5 pages, 5 figure

Spatiotemporal Fluctuation Induced Transition in a Tumor Model with Immune Surveillance

We report on a simple model of spatial extend anti-tumor system with a fluctuation in growth rate, which can undergo a nonequilibrium phase transition. Three states as excited, sub-excited and non-excited states of a tumor are defined to describe its growth. The multiplicative noise is found to be double-face: The positive effect on a non-excited tumor and the negative effect on an excited tumor.Comment: 8pages,5figure

Resolution in Linguistic Propositional Logic based on Linear Symmetrical Hedge Algebra

The paper introduces a propositional linguistic logic that serves as the basis for automated uncertain reasoning with linguistic information. First, we build a linguistic logic system with truth value domain based on a linear symmetrical hedge algebra. Then, we consider G\"{o}del's t-norm and t-conorm to define the logical connectives for our logic. Next, we present a resolution inference rule, in which two clauses having contradictory linguistic truth values can be resolved. We also give the concept of reliability in order to capture the approximative nature of the resolution inference rule. Finally, we propose a resolution procedure with the maximal reliability.Comment: KSE 2013 conferenc

A general model for collaboration networks

In this paper, we propose a general model for collaboration networks. Depending on a single free parameter "{\bf preferential exponent}", this model interpolates between networks with a scale-free and an exponential degree distribution. The degree distribution in the present networks can be roughly classified into four patterns, all of which are observed in empirical data. And this model exhibits small-world effect, which means the corresponding networks are of very short average distance and highly large clustering coefficient. More interesting, we find a peak distribution of act-size from empirical data which has not been emphasized before of some collaboration networks. Our model can produce the peak act-size distribution naturally that agrees with the empirical data well.Comment: 10 pages, 10 figure

Unusual Fermi Surface Sheet-Dependent Band Splitting in Sr2RuO4 Revealed by High Resolution Angle-Resolved Photoemission

High resolution angle-resolved photoemission measurements have been carried out on Sr2RuO4. We observe clearly two sets of Fermi surface sheets near the (\pi,0)-(0,\pi) line which are most likely attributed to the surface and bulk Fermi surface splitting of the \beta band. This is in strong contrast to the nearly null surface and bulk Fermi surface splitting of the \alpha band although both have identical orbital components. Extensive band structure calculations are performed by considering various scenarios, including structural distortion, spin-orbit coupling and surface ferromagnetism. However, none of them can explain such a qualitative difference of the surface and bulk Fermi surface splitting between the \alpha and \beta sheets. This unusual behavior points to an unknown order on the surface of Sr2RuO4 that remains to be uncovered. Its revelation will be important for studying and utilizing novel quantum phenomena associated with the surface of Sr2RuO4 as a result of its being a possible p-wave chiral superconductor and a topological superconductor.Comment: 13 pages, 4 figure

Initial validation of Chinese Pain Assessment in Advanced Dementia Scale (C-PAINAD)

2007-2008 > Academic research: refereed > Publication in refereed journalVersion of RecordPublishe

Lattice dielectric response of CdCu{3}Ti{4}O{12} and of CaCu{3}Ti{4}O{12} from first principles

Structural, vibrational, and lattice dielectric properties of CdCu{3}Ti{4}O{12} are studied using density-functional theory within the local spin-density approximation, and the results are compared with those computed previously for CaCu{3}Ti{4}O{12}. Replacing Ca with Cd is found to leave many calculated quantities largely unaltered, although significant differences do emerge in zone-center optical phonon frequencies and mode effective charges. The computed phonon frequencies of CdCu{3}Ti{4}O{12} are found to be in excellent agreement with experiment, and the computed lattice contribution to the intrinsic static dielectric constant (~60) also agrees exceptionally well with a recent optical absorption experiment. These results provide further support for a picture in which the lattice dielectric response is essentially conventional, suggesting an extrinsic origin for the anomalous low-frequency dielectric response recently observed in both materials.Comment: 5 pages; uses REVTEX macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/lh_cdct/index.htm

Copper Salt-Catalyzed Formation of a Novel Series of Triazole-Spirodienone Conjugates with Potent Anticancer Activity.

Copper salt-catalyzed oxidative amination resulted in the formation of a novel series of triazole-spirodienone conjugates, 4-triazolyl-1-oxa-4-azaspiro[4,5]deca-6,9-dien-3,8-diones and 4-triazolyl-1-oxa-4-azaspiro[4,5]deca-6,9-dien-8-ones. A single crystal of compound 1p among them was grown and analyzed by X-ray crystallography. These compounds were evaluated for their antiproliferative activities against MDA-MB-231, HeLa, A549 and MCF-7 cell lines. Most of them showed moderate to high anticancer potency in the four cancer cell lines. The discovery of the triazole-spirodienone conjugates as cytotoxic agents against cancer cells may open up a new field in which these novel small molecules could be further explored as promising anticancer agents