Simulations of polycrystalline CVD diamond film growth using a simplified Monte Carlo modelстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
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Дата последнего поиска статьи во внешних источниках: 9 апреля 2015 г.
Аннотация:A simple 1-dimensional Monte Carlo (MC) model has been developed to simulate the chemical vapour
deposition (CVD) of a diamond (100) surface. The model considers adsorption, etching/desorption, lattice
incorporation, and surface migration along and across the dimer rows. The reaction probabilities are taken
from experimental or theoretical literature values for standard CVD diamond conditions. Renucleation events
believed to be due to reactive adsorbates, such as C atoms or CN groups, were modelled by creating random
surface defects which form a critical nucleus upon which to nucleate a new layer. By assuming that migrating
C species that encounter these surface defects add to the growing surface by templating either from the
underlying layer or from the surface defect, and with suitable colour coding, the evolution of different grains
has been modelled. On increasing the probability of creating surface defects, the number of grains increases
while their mean size decreases. This simulates the film morphology changing from that of single crystal
diamond to microcrystalline, nanocrystalline and finally ultrananocrystalline diamond. With the formation of
such defects which can act as renucleation points turned off, but using random seed crystals, the films
develop a columnar structure similar to that observed for heteroepitaxial microcrystalline diamond.