ИССЛЕДОВАНИЕ ПРОЦЕССОВ В АТОМНОЙ И ЭЛЕКТРОННОЙ СТРУКТУРЕ НА НАЧАЛЬНОЙ СТАДИИ РОСТА АЛЮМИНИЯ НА ПОВЕРХНОСТИ SI(111) ПО МЕХАНИЗМУ СТРАНСКОГО- КРАСТАНОВА

Abstract

The initial stage of aluminum growth on Si(111) surface by Stranski–Krastanov mechanism was nvestigated by first principles modeling. It was shown that the stage of layered growth is haracterized by two critical coatings corresponding to the maximal values of "adsorbate – substrate" and "adsorbate – adsorbate" interactions. The processes in the electronic structure that occur with an increase in the adsorbate coating were considered as well. In particular, the formation of chottky barrier was studied and it was shown that the barrier has been already formed before the beginning of island growth stage. The atomic and electronic structures for a number of surface phases were modeled for the first time.