Molecular dynamics simulation in SrTiO₃

Author

KATSUMATA, T¹ ; INAGUMA, Y¹ ; ITOH, M¹ ; KAWAMURA, K²
[1] Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama 226, Japan
[2] Faculty of Science, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo 152, Japan

Conference title

Perovskite-related oxides: preparation, properties and perspective

Conference name

IUMRS-ICA'97 - Symposium R (Makuhari, Chiba 1997-09-16)

Author (monograph)

TAKANO, Mikio (Editor)² ; MIZUSAKI, Junichiro (Editor)³ ; CHOY, Jin-Ho (Editor)⁴ ; ITOH, Mitsuru (Editor)¹ ; TSURUMI, Takaaki (Editor)⁵
[1] Materials and Structure Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226, Japan
[2] Institute for Chemical Research , Kyoto University, Uji, Kyoto-fu 611, Japan
[3] Research Institute for Scientific Measurements, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-77, Japan
[4] Department of Chemistry, Seoul National University, Seoul 151-742, Korea, Democratic People's Republic
[5] Department of Inorganic Materials, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo 152, Japan

Source

Solid state ionics. 1998, Vol 108, Num 1-4, pp 175-178 ; ref : 18 ref

CODEN

SSIOD3

ISSN

0167-2738

Scientific domain

Crystallography; Condensed state physics; Polymers, paint and wood industries

Publisher

Elsevier Science, Amsterdam

Publication country

Netherlands

Document type

Conference Paper

Language

English

Keyword (fr)

Calcul dynamique moléculaire Composé ternaire Dilatation thermique Dépendance température Etude expérimentale Module compression Méthode potentiel Optimisation Potentiel interatomique Potentiel paire Propriété physique Strontium titanate Structure cristalline Volume molaire O Sr Ti SrTiO3 Composé minéral Métal transition composé

Keyword (en)

Molecular dynamics calculations Ternary compounds Thermal expansion Temperature dependence Experimental study Bulk modulus Potential method Optimization Interatomic potential Pair potentials Physical properties Strontium titanates Crystal structure Molar volume Inorganic compounds Transition element compounds

Keyword (es)

Módulo volumétrico Método potencial Potencial interatómico Volumen molar

Classification

Pascal

001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60E Thermal properties of condensed matter / 001B60E40 Thermal properties of crystalline solids / 001B60E40D Thermal expansion; thermomechanical effects and density

Pacs

6540 Heat capacities of solids

Discipline

Physics of condensed state : structure, mechanical and thermal properties

Origin

Inist-CNRS

Database

PASCAL

INIST identifier

2256416

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