An ab initio calculation study of silicon and carbon binary clusters C7Sin (n = 1―7)
- Author
- JING ZHANG1 ; LU, Wen-Cai1 2 ; ZANG, Qing-Jun2 ; ZHAO, Li-Zhen2 ; WANG, C. Z3 ; HO, K. M3
[1] State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130021, China
[2] College of Physics and Laboratory of Fiber Materials and Modern Textile, The Growing Base for State Key Laboratory, Qingdao University, Qingdao, Shandong 266071, China
[3] Ames Laboratory-US DOE and Department of Physics and Astronomy, Iowa State University, Ames, IA 50011, United States - Source
Journal of physics. Condensed matter (Print). 2011, Vol 23, Num 20 ; 205305.1-205305.7 ; ref : 31 ref
- CODEN
- JCOMEL
- ISSN
- 0953-8984
- Scientific domain
- Crystallography; Metallurgy, welding; Condensed state physics
- Publisher
- Institute of Physics, Bristol
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Calcul ab initio Composé du carbone Composé du silicium Energie liaison Liaison chimique Méthode fonctionnelle densité Orbitale frontière Population niveau énergie Potentiel ionisation Structure électronique
- Keyword (en)
- Ab initio calculations Carbon compounds Silicon compounds Binding energy Chemical bonds Density functional method Frontier orbital Energy level population Ionization potential Electronic structure
- Keyword (es)
- Orbital frontera Población nivel energía
- 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 / 001B70C22 Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals
- Discipline
- Physics of condensed state : electronic structure, electrical, magnetic and optical properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 24199289
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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