NON-NEAREST-NEIGHBOR HOPPING IN POLYACETYLENE

doi:10.1088/1004-423X/4/4/006

Abstract

Abstract In this paper, the extended Wannier function suitable for instable lattice is constructed, by employing a linear combination of hydrogenlike-atom wave functions, and used to calculate the non-nearest-neighbor hopping and energy-band structure of trans-polyacetylene. Studies show that the non-nearest-neighbor terms have a considerable influence on the band structure. The computed results agree very well with the experimental results.

Received: 03 June 1994
Accepted manuscript online:

PACS:	71.20.Rv	(Polymers and organic compounds)
	82.35.Cd	(Conducting polymers)
	71.15.-m	(Methods of electronic structure calculations)
	72.20.Ee	(Mobility edges; hopping transport)
	72.80.Le	(Polymers; organic compounds (including organic semiconductors))

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TONG GUO-PING (童国平), FENG JIA-XIAN (冯家显), LI HE-NIAN (李鹤年) NON-NEAREST-NEIGHBOR HOPPING IN POLYACETYLENE 1995 Acta Physica Sinica (Overseas Edition) 4 278

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