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Domains and domain walls in graphite intercalation compounds

Seong, Hyangsuk and Sen, Surajit and Çağin, Tahir and Mahanti, S. D. (1992) Domains and domain walls in graphite intercalation compounds. Physical Review B, 45 (16). pp. 8841-8844. ISSN 0163-1829. http://resolver.caltech.edu/CaltechAUTHORS:SEOprb92a

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Abstract

The structure of domains and domain walls in the low-temperature solid phase of stage-2 alkali-metal graphite intercalation compounds is studied using molecular-dynamics (MD) simulation and a model potential obtained from fitting to the liquid structure data. For RbC24, we find small domains of (√7 × √7 ) structure containing mostly seven Rb atoms and with domain walls consisting of (2×2) and (2×3) elemental plaquettes. These nanostructures provide a clear picture of the discommensurations and a consistent understanding of the x-ray-diffraction measurements. Based on the simulation results, we propose a periodic domain-wall model that explains very well the dominant features of the x-ray structure factor for both RbC24 and CsC24 when we allow for small changes in the planar density.


Item Type:Article
Additional Information:©1992 The American Physical Society Received 23 September 1991 We thank Professor M.F. Thorpe for useful discussions. This work was partially supported by NSF Grants No. DMR-MRG 89-035799 and No. DMR 90-24955, and the Center for Fundamental Materials Research.
Record Number:CaltechAUTHORS:SEOprb92a
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:SEOprb92a
Alternative URL:http://dx.doi.org/10.1103/PhysRevB.45.8841
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:6315
Collection:CaltechAUTHORS
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Deposited On:01 Dec 2006
Last Modified:26 Dec 2012 09:20

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