Multiple-scattering theoretical approach to scanning tunneling microscopy

被引：7

作者：

Saha, Kamal K. ^{[1
]}

Henk, Juergen ^{[1
]}

Ernst, Arthur ^{[1
]}

Bruno, Patrick ^{[1
]}

机构：

[1] Max Planck Inst Mikrostrukturphys, D-06120 Halle, Saale, Germany

来源：

PHYSICAL REVIEW B | 2008年 / 77卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.77.085427

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An approach for computing scanning tunneling microscopy from first principles is proposed. Within the framework of Landauer-Buttiker theory, the conductance of a scanning tunneling microscope (STM) is obtained in terms of real-space Green functions, thereby taking into account incoherent tunneling processes and the tip-sample interaction but avoiding repeated STM tips as in a supercell approach. The approach is formulated within multiple-scattering theory, especially in the Korringa-Kohn-Rostoker method, but can be implemented in any Green-function method for electronic-structure calculations. Extensive tests are presented for planar and STM tunnel junctions involving Au(111) electrodes.

引用

页数：12

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