Published 2009
| Version v1
Book
Bulk properties of Ba and Sr doped C60 solids
Description
We present model calculations for barium and strontium doped C60 solids formed by exohedral doping in pure C60 solid. We have calculated bulk properties such as cohesive energy, lattice constant and bulk modulus for BanC60 and SrnC60 (n = 1, 3, 6). The total cohesive energy is calculated by taking into account van der Waals and screened coulomb interactions. We find that total charge transfer from cation to anion is favoured for SrnC60, BanC60 systems. The bulk properties for these systems are in good agreement with other calculation/experimental observations. (author)
Additional details
Publishing Information
- Publisher
- Manohar Chandnani
- Imprint Place
- Mumbai (India)
- ISBN
- 978-81-8372-054-0
- Imprint Title
- Proceedings of the DAE solid state physics symposium. V. 54
- Imprint Pagination
- 1210 p.
- Journal Page Range
- p. 731-732
Conference
- Title
- 54. DAE solid state physics symposium
- Dates
- 14-18 Dec 2009
- Place
- Vadodara (India)
INIS
- Country of Publication
- India
- Country of Input or Organization
- India
- INIS RN
- 41068979
- Subject category
- S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- BARIUM; DOPED MATERIALS; FULLERENES; LATTICE PARAMETERS; STRONTIUM
- Descriptors DEC
- ALKALINE EARTH METALS; CARBON; ELEMENTS; MATERIALS; METALS; NONMETALS
Optional Information
- Notes
- 8 refs., 1 fig., 3 tabs.