Published January 1, 2006
| Version v1
Journal article
Ionic transport properties in doped δ-Bi2O3
Creators
- 1. Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)
Description
We have performed the first principles calculations on doped δ-Bi2O3 to investigate ionic conductivity. The crystal structure and the ionic conductivity are discussed in total energy and density of states (DOS) from the calculations. The stabilized δ-phase Bi2O3 doped rare-earth metal was explained from DOS data. By doping Ca, Sr, La, Gd or Sm, the ion conductivity monotonically decreases, while doping with impurity Y, Tb, Dy, Er or Tm, the ion conductivity firstly increases and then decrease. Our results support the effective oxygen vacancies mechanism
Availability note (English)
Available online at http://stacks.iop.org/1742-6596/29/106/jpconf6_29_020.pdf or at the Web site for the Journal of Physics. Conference Series (Online) (ISSN 1742-6596) http://www.iop.org/Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. Conference Series (Online)
- Journal Volume
- 29
- Journal Issue
- 1
- Journal Page Range
- p. 106-109
- ISSN
- 1742-6596
Conference
- Title
- 3. conference of the Asian Consortium for Computational Materials Science
- Acronym
- ACCMS-3
- Dates
- 8-11 Sep 2005
- Place
- Beijing (China)
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 37056159
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- BISMUTH OXIDES; DOPED MATERIALS; IMPURITIES; IONIC CONDUCTIVITY; RARE EARTHS; VACANCIES
- Descriptors DEC
- BISMUTH COMPOUNDS; CHALCOGENIDES; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; ELECTRIC CONDUCTIVITY; ELECTRICAL PROPERTIES; ELEMENTS; MATERIALS; METALS; OXIDES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; POINT DEFECTS