Calculating scattering matrices by wave function matching
文献类型：期刊论文
| 作者 | Zwierzycki, M ; Khomyakov, PA ; Starikov, AA ; Xia, K ; Talanana, M ; Xu, PX ; Karpan, VM ; Marushchenko, I ; Turek, I ; Bauer, GEW ; Brocks, G ; Kelly, PJ |
| 刊名 | PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
 |
| 出版日期 | 2008 |
| 卷号 | 245期号:4页码:623 |
| ISSN号 | 0370-1972 |
| 中文摘要 | The conductance of nanoscale structures can be conveniently related to their scattering properties expressed in terms of transmission and reflection coefficients. Wave function matching (WFM) is a transparent technique for calculating transmission and reflection matrices for any Hamiltonian that can be represented in tight-binding form. A first-principles Kohn-Sham Hamiltonian represented on a localized orbital basis or on a real space grid has such a form. WFM is based upon direct matching of the scattering-region wave function to the Bloch modes of ideal leads used to probe the scattering region. The purpose of this paper is to give a pedagogical introduction to WFM and present some illustrative examples of its use in practice. We briefly discuss WFM for calculating the conductance of atomic wires, using a real space grid implementation. A tight-binding muffin-tin orbital implementation very suitable for studying spin-dependent transport in layered magnetic materials is illustrated by looking at spin-dependent transmission through ideal and disordered inter-faces. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. |
| 收录类别 | SCI |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/34433]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zwierzycki, M,Khomyakov, PA,Starikov, AA,et al. Calculating scattering matrices by wave function matching[J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,2008,245(4):623. |
| APA | Zwierzycki, M.,Khomyakov, PA.,Starikov, AA.,Xia, K.,Talanana, M.,...&Kelly, PJ.(2008).Calculating scattering matrices by wave function matching.PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,245(4),623. |
| MLA | Zwierzycki, M,et al."Calculating scattering matrices by wave function matching".PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 245.4(2008):623. |
入库方式： OAI收割
来源：物理研究所
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