Study of Early Growth Stage of Ge On Si (100).

Author(s)

Gustavo Martini Dalpian

• Document type: Master's Dissertation
• Press: São Paulo.
• Institution: Universidade de São Paulo (USP). Instituto de Física (IF/SBI)
• Defense date: 2000-04-13

Examining board members

Adalberto Fazzio; Alex Antonelli; Alain Andre Quivy

• Advisor: Adalberto Fazzio

Abstract

The (100) surface of Silicon is studied using First Principles methods, based on the Density Functional Theory and on the Pseudopotential method. We obtained the electronic and structural properties of the most important reconstructions of this surface and we also obtained the main bonding sites for the adsorption of small Ge structures on the surface. Site M was found as being the most stable for the monomers adsorption, similar to previous results on the literature. The main difference is on the buckling of the silicon surface dimers. We observed that different configurations of these buckling gave us different metastable adsorption sites. We then insert a new degree of freedom for this kind of adsorption, related to the buckling of the silicon surface dimers. \\Me also studied the adsorption of Ge trimers on the surface, and the structure found as being the most stable agree very well with previous theoretical and experimetal results. (AU)