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The electronic structure of Be and BeO: benchmark EMS measurements and LCAO calculations

Author
SOULE DE BASA, B1 ; DORSETT, H. E2 ; FORD, M. J3
[1] School of Chemistry, Physics and Earth Science, Flinders University of South Australia, G.P.O. Box 2100, Adelaide, SA 5001, Australia
[2] Defence Science and Technology Organisation, P.O. Box 44, Pyrmont, NSW 2009, Australia
[3] Institute of Nanoscale Technology, University of Technology Sydney, P.O. Box 123, Broadway, NSW 2007, Australia
Source

The Journal of physics and chemistry of solids. 2003, Vol 64, Num 3, pp 495-505, 11 p ; ref : 35 ref

ISSN
0022-3697
Scientific domain
Crystallography; Condensed state physics
Publisher
Elsevier, Oxford
Publication country
United Kingdom
Document type
Article
Language
English
Author keyword
A. Metals A. Oxides
Keyword (fr)
Approximation densité locale Béryllium oxyde Béryllium Couche ultramince Densité quantité mouvement Diffusion multiple Energie liaison Etude expérimentale Etude théorique Méthode LCAO Méthode fonctionnelle densité Simulation numérique Structure bande Structure électronique Be O Be BeO
Keyword (en)
Local density approximation Beryllium oxides Beryllium Ultrathin films Momentum density Multiple scattering Binding energy Experimental study Theoretical study LCAO method Density functional method Digital simulation Band structure Electronic structure
Keyword (es)
Aproximación densidad local
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A10 Theories and models of many electron systems

Pascal
001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A20 Electron density of states and band structure of crystalline solids / 001B70A20D Alkali and alkaline earth metals

Pacs
7115A Plane-wave methods (including augmented plane-wave method)

Pacs
7115M Density functional theory, local density approximation

Pacs
7120D Alkali and alkaline earth metals

Discipline
Physics of condensed state : electronic structure, electrical, magnetic and optical properties
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
14427178

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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