Single-molecule electronic materials. Conductance of π-conjugated oligomers within quasi-correlated tight-binding model

• Published in: Functional Materials
• Date: 2019
• Main Author: Luzanov, A.V.
• Format: Article
• Language: English
• Published: НТК «Інститут монокристалів» НАН України 2019
• Subjects: Modeling and simulation
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/157411
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Single-molecule electronic materials. Conductance of π-conjugated oligomers within quasi-correlated tight-binding model / A.V. Luzanov // Functional Materials. — 2019. — Т. 26, № 1. — С. 152-163. — Бібліогр.: 45 назв. — англ.

For computing electric conductance through organic nanowire of conjugated type we make use of the recently proposed quasi-correlated tight-binding (QCTB) method. The appropriate Green's function (GF) matrices are constructed, and simple numerical algorithms are given for them. Moreover, the GF...