Graph-theoretical characterization of periodicity in crystallographic nets and other infinite graphs.
Acta Crystallogr A
; 61(Pt 5): 501-11, 2005 Sep.
Article
em En
| MEDLINE
| ID: mdl-16110198
Local automorphisms in infinite graphs are defined as those automorphisms for which the distance (in the graph-theoretical sense) between any vertex and its image possesses an upper bound. Abelian subgroups of direction-preserving local automorphisms without fixed point, so-called shift groups, are used to determine the quotient graph of infinite graphs. It is shown that the shift group, the closest topological analogue to a translation group in crystal structures, is isomorphic to the quotient group C/C(0) of the cycle space C of the quotient graph by some subgroup C(0), its kernel. As a main consequence, the isomorphism class of nets can be determined directly from their labeled quotient graph, without having recourse to any embedding. A general method is formulated and illustrated in the case of cristobalite and moganite structures. Application to carbon and other kinds of nanotubes is also described.
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01-internacional
Base de dados:
MEDLINE
Assunto principal:
Algoritmos
/
Modelos Teóricos
Idioma:
En
Revista:
Acta Crystallogr A
Ano de publicação:
2005
Tipo de documento:
Article
País de afiliação:
Brasil
País de publicação:
Estados Unidos