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Analysis of phase stability in cubic zirconia solid solutions by first principle molecular orbital method

Author
KUWABARA, Akihide1 ; IKUHARA, Yuichi2 ; SAKUMA, Taketo3
[1] Dept. of Materials, School of Eng., The Univ. of Tokyo, Bunkyo-ku. Tokyo, 113-8656, Japan
[2] Eng. Research Inst, School of Eng., The Univ. of Tokyo, Bunkyo-ku, Tokyo, 113-8656, Japan
[3] Dept. of Advanced Materials Sci., Graduate Student of Frontier Sci., The Univ. of Tokyo. Bunkyu.ku, Tokyo, 113-8656, Japan
Source

Zairyo. 2001, Vol 50, Num 6, pp 619-624 ; ref : 35 ref

CODEN
ZARYAQ
ISSN
0514-5163
Scientific domain
Chemical industry parachemical industry; Metallurgy, welding; Polymers, paint and wood industries
Publisher
Society of Materials Science, Kyoto
Publication country
Japan
Document type
Article
Language
Japanese
Keyword (fr)
Composé ternaire Densité état électron Effet composition Etude théorique Lanthanide Oxyde Modèle amas Méthode orbitale moléculaire Paramètre cristallin Réseau cubique Stabilité phase Structure électronique Zirconium oxyde Lanthanide composé Modèle Ising Métal transition composé
Keyword (en)
Ternary compounds Electronic density of states Composition effect Theoretical study Rare earths Oxides Cluster model Molecular orbital method Lattice parameters Cubic lattices Phase stability Electronic structure Zirconium oxides Rare earth compounds Ising model Transition element compounds
Keyword (es)
Efecto composición
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 / 001B70A20P Other inorganic compounds

Pacs
7120P Other inorganic compounds

Discipline
Physics of condensed state : electronic structure, electrical, magnetic and optical properties
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
14058476

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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