Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/64556
Type: Artigo de periódico
Title: ELECTRONIC-PROPERTIES OF A CLUSTER-BASED SOLID FORM OF CARBON - C28 HYPERDIAMOND
Author: KAXIRAS, E
ZEGER, LM
ANTONELLI, A
JUAN, YM
Abstract: Using ab initio electronic structure calculations, we study a cluster-assembled form of carbon which is based on C28 units arranged in a diamond crystal (hyperdiamond). We investigate how the charge density and electronic spectrum of an isolated C28 unit is altered in the infinite lattice. We analyze the nature of electronic states near the Fermi level of both an isolated C28 cluster and its solid form. A tight binding model, with parameters fitted to reproduce energy eigenvalues calculated from first principles, provides insight on how the states of hyperdiamond are derived from those of C28.
Country: EUA
Editor: American Physical Soc
Rights: aberto
Identifier DOI: 10.1103/PhysRevB.49.8446
Date Issue: 1994
Appears in Collections:Unicamp - Artigos e Outros Documentos

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