Counterintuitive scaling between population abundance and local density: implications for modelling transmission of infectious diseases in bat populations

1988 ◽

Vol 46 ◽

pp. 506-507

Author(s):

Xudong Weng ◽

O.F. Sankey ◽

Peter Rez

Keyword(s):

Ab Initio ◽

Local Density ◽

Interpolation Method ◽

Atomic Orbital ◽

Plane Waves ◽

Large Set ◽

Theory Approach ◽

Band Theory ◽

Atomic Orbitals ◽

Pseudopotential Calculations

Single electron band structure techniques have been applied successfully to the interpretation of the near edge structures of metals and other materials. Among various band theories, the linear combination of atomic orbital (LCAO) method is especially simple and interpretable. The commonly used empirical LCAO method is mainly an interpolation method, where the energies and wave functions of atomic orbitals are adjusted in order to fit experimental or more accurately determined electron states. To achieve better accuracy, the size of calculation has to be expanded, for example, to include excited states and more-distant-neighboring atoms. This tends to sacrifice the simplicity and interpretability of the method.In this paper. we adopt an ab initio scheme which incorporates the conceptual advantage of the LCAO method with the accuracy of ab initio pseudopotential calculations. The so called pscudo-atomic-orbitals (PAO's), computed from a free atom within the local-density approximation and the pseudopotential approximation, are used as the basis of expansion, replacing the usually very large set of plane waves in the conventional pseudopotential method. These PAO's however, do not consist of a rigorously complete set of orthonormal states.

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Flux-pinning-related defect structures in melt-processed YBa2Cu3O7-x

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100150514 ◽

1993 ◽

Vol 51 ◽

pp. 936-937

Author(s):

Z. L. Wang ◽

R. Kontra ◽

A. Goyal ◽

D. M. Kroeger ◽

L.F. Allard

Keyword(s):

Volume Fraction ◽

Local Density ◽

Stacking Faults ◽

Image Resolution ◽

Defect Structures ◽

Atomic Structures ◽

Transmission Electron ◽

Point Image ◽

Related Defect ◽

Point To Point

Previous studies of Y2BaCuO5/YBa2Cu3O7-δ(Y211/Y123) interfaces in melt-processed and quench-melt-growth processed YBa2Cu3O7-δ using high resolution transmission electron microscopy (HRTEM) and energy dispersive X-ray spectroscopy (EDS) have revealed a high local density of stacking faults in Y123, near the Y211/Y123 interfaces. Calculations made using simple energy considerations suggested that these stacking faults may act as effective flux-pinners and may explain the observations of increased Jc with increasing volume fraction of Y211. The present paper is intended to determine the atomic structures of the observed defects. HRTEM imaging was performed using a Philips CM30 (300 kV) TEM with a point-to-point image resolution of 2.3 Å. Nano-probe EDS analysis was performed using a Philips EM400 TEM/STEM (100 kV) equipped with a field emission gun (FEG), which generated an electron probe of less than 20 Å in diameter.Stacking faults produced by excess single Cu-O layers: Figure 1 shows a HRTEM image of a Y123 film viewed along [100] (or [010]).

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