Atomistic simulations of solid-phase epitaxial growth in silicon

被引:60
作者
Bernstein, N
Aziz, MJ
Kaxiras, E
机构
[1] Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA
[2] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA
关键词
D O I
10.1103/PhysRevB.61.6696
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
High-quality semiconductor crystals can be produced by solid-phase epitaxial growth at the amorphous-crystal interface. Despite extensive experimental studies, the microscopic mechanisms that lead to crystallization are not known. Molecular-dynamics simulations of a Si(001) amorphous-crystal interface, using an accurate empirical interatomic potential, give an activation energy (for T>950 K) and a shape for the activated state that are in reasonable agreement with experimental measurements. Analysis of the simulations reveals complex microscopic mechanisms involving one or several consecutive atomic rearrangement steps; the unanticipated level of complexity casts doubt on the common viewpoint of a unique mechanism.
引用
收藏
页码:6696 / 6700
页数:5
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