Ab initio total energy study of ZnO adsorption on a sapphire (0001) surface
- Author
- YANG CHUN1 2 ; YAN-RONG, Li3 ; JIN-SHAN, Li4
[1] Institute of Microelectronics and Solid State Electronics, University of Electronic Science and Technology of China, Chengdu 610054, China
[2] Institute of Mathematics and Software Science, Sichuan Normal University, Chengdu 610068, China
[3] Institute of Mcroelectronics and Solid State Electronics, University of Electronic Science and Technology of China, Chengdu 610054, China
[4] Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621000, China - Source
Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 4, pp 045413.1-045413.8 ; ref : 41 ref
- ISSN
- 1098-0121
- Scientific domain
- Metallurgy, welding; Condensed state physics
- Publisher
- American Physical Society, Ridge, NY
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Adsorption Aluminium oxyde Calcul ab initio Densité état électron Energie totale Etude expérimentale Hybridation Liaison chimique Liaison covalente Liaison ionique Localisation électronique Méthode fonctionnelle densité Population Mulliken Pseudopotentiel Saphir Structure surface Zinc oxyde Al O Al2O3 O Zn ZnO Composé minéral Métal transition composé
- Keyword (en)
- Adsorption Aluminium oxides Ab initio calculations Electronic density of states Total energy Experimental study Hybridization Chemical bonds Covalent bonds Ionic bonds Electron localization Density functional method Mulliken population Pseudopotential Sapphire Surface structure Zinc oxides Inorganic compounds Transition element compounds
- Keyword (es)
- Localización electrónica Población Mulliken
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70C Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures / 001B70C20 Surface and interface electron states / 001B70C20A Surface states, band structure, electron density of states
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 16120491
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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