Coverage-dependent geometries of nanowires on Ge(0 0 1)-Au surfaces: modification of trenches. (26th May 2016)

• Record Type: Journal Article
• Authors: Seino, Kaori; Bechstedt, Friedhelm
• Is Part Of: Journal of physics. Volume 28:Number 28(2016)
• Publication Date: 2016-05-26
• Subjects: nanowires -- Ge(0 0 1) -- density functional calculations -- scanning tunneling microscopy -- trenches -- gold coverage; Condensed matter -- Periodicals; Matière condensée -- Périodiques; Vaste stoffen; Vloeistoffen; Natuurkunde; Electronic journals; Computer network resources; 530.4105
• DOI: 10.1088/0953-8984/28/28/284005
• Languages: English
• ISSNs: 0953-8984

Abstract

Abstract: Despite intense research the microscopic atomic structure of Au-induced nanowires on Ge(0 0 1) substrates is still under discussion. We analyse a variety of structural models for Au-induced nanowires on the Ge(0 0 1) surface using first-principles calculations. Here we focus on subridge modifications at higher Au coverages and study geometries based on the giant missing row model with Ge–Ge dimers in the grooves between the nanowires due to replacing them by Ge–Au heterodimers or Au–Au homodimers. Stable geometries are predicted for higher Au coverages, which however have only a minor influence on the electronic structure. The findings are interpreted that the Au coverage and the actual geometry may vary in the various experiments according to the preparation conditions.