BaTiO3: Energy, geometrical and electronic structure, relationship between optical constant and density from first-principles calculations
- Author
- LIU, Qi-Jun1 ; ZHANG, Ning-Chao2 ; LIU, Fu-Sheng2 ; WANG, Hong-Yan2 ; LIU, Zheng-Tang3
[1] Bond and Band Engineering Group, Institute of High Temperature and High Pressure Physics, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, Sichuan 610031, China
[2] Institute of High Temperature and High Pressure Physics, Southwest Jiaotong University, Chengdu, Sichuan 610031, China
[3] State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, China - Source
Optical materials (Amsterdam). 2013, Vol 35, Num 12, pp 2629-2637, 9 p ; ref : 84 ref
- ISSN
- 0925-3467
- Scientific domain
- Optics; Condensed state physics
- Publisher
- Elsevier, Oxford
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Author keyword
- BaTiO3 Density-functional theory Electronic structure Optical properties
- Keyword (fr)
- Composé ternaire Constante optique Densité électron Densité état Etat fondamental Indice réfraction Matériau optique Méthode fonctionnelle densité Propriété optique Structure bande Structure électronique Titanate de baryum 4270 Ba O Ti BaTiO3
- Keyword (en)
- Ternary compounds Optical constants Electron density Density of states Ground states Refractive index Optical materials Density functional method Optical properties Band structure Electronic structure Barium titanates
- Keyword (es)
- Densidad estado
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B40 Fundamental areas of phenomenology (including applications) / 001B40B Optics / 001B40B70 Optical materials
- Discipline
- Physics : optics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 27831032
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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DOI
10.1016/j.optmat.2013.07.034 
https://dx.doi.org/10.1016/j.optmat.2013.07.034
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