SELF-CONSISTENT CALCULATION OF SOLITONS IN POLYACETYLENE.

被引：0

作者：

Dos Santos, M.C. ^{[1
]}

De Melo, C.P. ^{[1
]}

机构：

[1] Univ Federal de Pernambuco, Recife, Braz, Univ Federal de Pernambuco, Recife, Braz

来源：

Synthetic Metals | 1986年 / 17卷 / 1-3期

关键词：

CHARGED PARTICLES;

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学科分类号：

摘要：

We present a self-consistent calculation of the electronic structure of a single-site solition present in a infinite chain of trans-polyacetylene. It is shown that the inclusion of on-site (Hubbard) electron-electron repulsion terms induces a spin redistribution of the system giving origin to sites of negative spin density. The importance of including off-diagonal repulsion terms is discussed.

引用

页码：23 / 26

共 4 条

[1] LOCALIZED MODES OF SOLITON AND INFRARED ABSORPTION IN POLYACETYLENE.
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Wu, Chang-Qin
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Synthetic Metals, 1986, 17 (1-3) : 39 - 43
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