In:
Japanese Journal of Applied Physics, IOP Publishing, Vol. 38, No. 1S ( 1999-01-01), p. 487-
Abstract:
Ab initio quantum chemical calculations using density functional theory have been performed to investigate the migration process of an Al adatom on the partly H-terminated Si(111) surfaces.
The diffusion of an Al adatom from the H-terminated monohydride area to the nonterminated bare Si area has been examined with two types of computational cluster models, both of which consistently indicate similar potential energy changes. It has been revealed that the transfer of a single Al adatom from the H-terminated to the nonterminated area spontaneously proceeds without any activation energy barrier, and results in a very stable adhesion to the Si surface with an energy stabilization by 3.3 eV.
Type of Medium:
Online Resource
ISSN:
0021-4922
,
1347-4065
Language:
Unknown
Publisher:
IOP Publishing
Publication Date:
1999
detail.hit.zdb_id:
218223-3
detail.hit.zdb_id:
797294-5
detail.hit.zdb_id:
2006801-3
detail.hit.zdb_id:
797295-7