Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/57934
Type: Artigo de periódico
Title: THEORETICAL-STUDY OF CUBIC STRUCTURES BASED ON FULLERENE CARBON CLUSTERS - C28C AND (C-28)(2)
Author: ZEGER, LM
JUAN, YM
KAXIRAS, E
ANTONELLI, A
Abstract: We study a hypothetical form of solid carbon C28C, with a unit cell which is composed of the C-28 fullerene cluster and an additional single carbon atom arranged in the zinc-blende structure. Using ab initio calculations, we show that this form of solid carbon has lower energy than hyperdiamond, the recently proposed form composed of C-28 units in the diamond structure. To understand the bonding character of these cluster-based solids, we analyze the electronic structure of C28C and of hyperdiamond and compare them to the electronic states of crystalline cubic diamond.
Country: EUA
Editor: American Physical Soc
Rights: aberto
Identifier DOI: 10.1103/PhysRevB.52.2125
Date Issue: 1995
Appears in Collections:Unicamp - Artigos e Outros Documentos

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