Open AccessTHE STABILITY OF STRUCTURE MODELS OF Si(111) 7×7 SURFACE
Author(s) -
Huizhou Liu,
Zheyin Li
Publication year - 1989
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.38.1569
Subject(s) - stability (learning theory) , surface (topology) , vacancy defect , materials science , point (geometry) , electronic structure , tight binding , molecular physics , chemical physics , statistical physics , physics , computer science , condensed matter physics , geometry , mathematics , machine learning
In this paper, based on the concept of building blocks with interactions, we study the stability of models of Si(lll) 7×7 reconstructed surface. With use of tight-binding method, we calculated formation energies of various building blocks and their interactions. With these building blocks, various large unit surfaces can be constructed and their total energies can be easy estimated, without heavy calculations. We evaluate the surface energies of Si(lll) 5×5 and 7×7 DAS models, and get the results of -0.467 eV and -0.477 eV, respectively, close to the results of Qian and Chadi. Moreover, we point out that neither the 7×7 adatom model nor the 7×7 adatom-vacancy model are stable.