Stability, interaction and influence of domain boundaries in Ge/Si(111)-5 × 5

We present a theoretical investigation of the influence of domain boundaries on the Ge/Si(111)-5 × 5 phase using both large-scale DFT simulations and an analytical model. It is shown that different boundary types modify the atomic and electronic structure of the adjoining 5 × 5 domains in very diffe...

Full description

Saved in:
Bibliographic Details
Published in:Journal of physics. Condensed matter 2012-11, Vol.24 (44), p.445003-445003
Main Authors: Ondrá ek, Martin, Mutombo, Pingo, Chvoj, Zden k, Mark, Andrew G, Chromcová, Zde ka, McLean, Alastair B, Jelínek, Pavel
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:We present a theoretical investigation of the influence of domain boundaries on the Ge/Si(111)-5 × 5 phase using both large-scale DFT simulations and an analytical model. It is shown that different boundary types modify the atomic and electronic structure of the adjoining 5 × 5 domains in very different ways. A simple theoretical model, that describes the energy interaction J between the boundaries and the 5 × 5 phase, is presented and the interaction energy decay J(x) x−n for different domain boundaries is estimated. Additionally, the influence of the boundaries on the atomic and electronic structure of adatoms in the parental 5 × 5 phase is analyzed and it is argued that the presence of domain boundaries may strongly affect not only the physical but also the chemical properties of the Ge/Si(111)-5 × 5 phase.
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/24/44/445003