Tight-binding-based empirical potentials: Molecular dynamics of wafer bonding

Citation
K. Scheerschmidt et al., Tight-binding-based empirical potentials: Molecular dynamics of wafer bonding, COMP MAT SC, 22(1-2), 2001, pp. 56-61
Citations number
22
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
COMPUTATIONAL MATERIALS SCIENCE
ISSN journal
09270256 → ACNP
Volume
22
Issue
1-2
Year of publication
2001
Pages
56 - 61
Database
ISI
SICI code
0927-0256(200111)22:1-2<56:TEPMDO>2.0.ZU;2-D
Abstract
Molecular dynamics simulations using tight-binding methods or based on an e mpirical potential derived from the tight-binding approximation have been e mployed to describe atomic interactions at interfaces created by the macros copic wafer bonding process. The bond order potentials including pi -bonds are used to predict the interaction of diamond wafer surfaces: strong coval ent bonding is possible for flat and clean C(0 0 1)-2 X I surfaces under ul trahigh vacuum (UHV) conditions and at room temperature, C(1 1 1)-2 X 1 sur faces will bond very weakly and debond already at moderate temperatures. (C ) 2001 Elsevier Science B.V. All rights reserved.