Abstract :
Chemical vapor deposition (CVD) is gradually emphasized as one promising method for nanomaterial formation. Such
growth mechanism has been mainly investigated on basis of experiment. Due to large cost of the equipment of experiment and
low level of current measurement, the comprehension about authentic effect of formation condition on properties of
nanomaterial is limited in qualitative manner. Three quantitative items: flatness of primary deposition, adhesion between
cluster and substrate, and degree of epitaxial growth were proposed to evaluate the property of thin film. In this simulation, three
different cluster sizes of 203, 653, 1563 atoms with different velocities (0, 10, 100, 1000, 3000 m/s) were deposited on a
Cu(0 0 1) substrate whose temperatures were set between 300 and 1000 K. Within one velocity range, not only the speed of
epitaxial growth and adhesion between thin film and substrate were enhanced, but also the degree of epitaxy increased and the
shape of thin film became more flat with velocity increasing. Moreover, the epitaxial growth became well as the temperature of
substrate was raised within a certain range, and the degree of epitaxy of small cluster was larger than larger cluster. The results
indicated that the property of thin film could be controlled if the effect of situations of process was made clear.
Keywords :
Molecular dynamics , computer simulation , epitaxy , Thin film , CVD