Ab initio studies of polyanionic clustering in liquid alloys

Author

HAFNER, J¹ ; SEIFERT-LORENZ, K¹ ; GENSER, O¹
[1] Institut für Theoretische Physik and Center for Computational Materials Science, Technische Universität Wien, Wiedner Hauptstrasse 8-101136, 1040 Vienna, Austria

Conference title

Proceedings of the Tenth International Conference on Liquid and Amorphous Metals. Part I

Conference name

LAM-10 International Conference on Liquid and Amorphous Metals (10 ; Dortmund 1998-08-30)

Author (monograph)

WINTER, Roland (Editor)¹ ; KÖSTER, Uwe (Editor)² ; BARNES, Adrian C (Editor)³
[1] Department of Chemistry, University of Dortmund, Dortmund, Germany
[2] Department of Chemical Engineering, University of Dortmund, Dortmund, Germany
[3] H.H. Wills Physics Laboratory, Bristol, United Kingdom

Source

Journal of non-crystalline solids. 1999, Vol 250-52, pp 225-235 ; 1 ; ref : 46 ref

CODEN

JNCSBJ

ISSN

0022-3093

Scientific domain

Crystallography; Chemical industry parachemical industry; Metallurgy, welding; Condensed state physics

Publisher

Elsevier, Amsterdam

Publication country

Netherlands

Document type

Conference Paper

Language

English

Keyword (fr)

Alliage binaire Alliage liquide Antimoine alliage Approximation densité locale Calcul ab initio Calcul dynamique moléculaire Composé binaire Cristal Densité état Etude expérimentale Fonction corrélation paire Fusion Méthode fonctionnelle densité Phase liquide Polyanion Potassium alliage Potassium tellurure Structure électronique Alliage KSb K Sb K Te K0,12Te0,88

Keyword (en)

Binary alloys Liquid alloys Antimony alloys Local density approximation Ab initio calculations Molecular dynamics calculations Binary compounds Crystals Density of states Experimental study Pair correlation function Melting Density functional method Liquid phase Polyanion Potassium alloys Potassium tellurides Electronic structure

Keyword (es)

Aproximación densidad local Densidad estado Función correlación par Polianión

Classification

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

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 / 001B70A20P Other inorganic compounds

Pascal

001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70A Electron states / 001B70A22 Electronic structure of liquid metals and semiconductors and their alloys

Pacs

7120D Alkali and alkaline earth metals

Pacs

7120P Other inorganic compounds

Pacs

7122 Electronic structure of liquid metals and semiconductors and their alloys

Discipline

Physics of condensed state : electronic structure, electrical, magnetic and optical properties

Origin

Inist-CNRS

Database

PASCAL

INIST identifier

1926684

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