Premium
Simple Analysis of Atomic Forces Acting on Silicon Surfaces
Author(s) -
Tomášek M.,
Pick Š.,
Gadiyak G. V.,
Morokov Yu. N.
Publication year - 1989
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221560124
Subject(s) - character (mathematics) , silicon , simple (philosophy) , hamiltonian (control theory) , interpretation (philosophy) , surface (topology) , ab initio , computational chemistry , ideal (ethics) , theoretical physics , classical mechanics , physics , materials science , mathematics , chemistry , quantum mechanics , geometry , computer science , optoelectronics , epistemology , programming language , mathematical optimization , philosophy
Extensive recursion method calculations of silicon (001), (111) and ( 1 1 1 ) surfaces, both ideal and with adatoms and steps, are analyzed and a simple, transparent picture of the origin of forces acting between surface atoms is arrived at. The results fall into three distince groups depending on the character of surface states near E F . Within each of these groups, the interactions have a pair‐wise character. The interpretation is made using the generalized Hückel rule and low order moments of the Hamiltonian. The comparison with ab initio calculations is much improved when direct interactions between surface nearest neighbours are included. The relation of the conclusions to recent empirical approaches is shortly mentioned.