Document Type

Article

Publication Date

1989

Abstract

It is shown formally that the Peierls expression is inadequate for studying the instabilities of a physically realizable one-dimensional chain of atoms, due to the long-range nature of the Coulomb interaction. Detailed total-energy studies of trans-polyacetylene, for both suggested crystal structures (P21/n,P21/a) and for the one-dimensional chain, establish that no appreciable total-energy minimum occurs for nonzero dimerization amplitude within the local-density approximation. The measured dimerization is discussed within the context of recent models of electron correlation.

Comments

J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, and S. R. Chubb, Physical Review Letters, 62, 2016-2019, 1989. "Copyright © 1989 by the American Physical Society.”

Link to the online abstract: http://link.aps.org/doi/10.1103/PhysRevLett.62.2016

DOI: 10.1103/PhysRevLett.62.2016

See Also:

Errata: http://scholarlyrepository.miami.edu/physics_articles/42

Ashkenazi et al. reply: http://scholarlyrepository.miami.edu/physics_articles/41

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