Effect of Boron Doping on the CVD Growth Rate of Diamond
2016 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 120, no 19, 10658-10666 p.Article in journal (Refereed) Published
The purpose with the present study has been to theoretically investigate the effect of boron doping on the diamond growth rate. The most frequently observed diamond surface planes (100), (111) and (110) were thereby carefully investigated using density functional theory calculations under periodic boundary conditions. It was shown that both the thermodynamic and kinetic aspects of the diamond growth process will be severely affected by the B dopant (as compared with the non-doped situations). More specifically, the results showed that B (positioned within the 2nd atomic C layer) will cause an enhancement in the growth rate. On the other hand, the effect of B positioned in the other atomic C layers showed a decreased growth rate. These observations did not only correlate with experimental results but did also explain the anomalous variations in the diamond growth rate (i.e., either increase or decrease) with B doping.
Place, publisher, year, edition, pages
2016. Vol. 120, no 19, 10658-10666 p.
Diamond, Growth rate, CVD, Ab initio theory, B doping
IdentifiersURN: urn:nbn:se:uu:diva-271512DOI: 10.1021/acs.jpcc.6b02227ISI: 000376417500059OAI: oai:DiVA.org:uu-271512DiVA: diva2:892045
FunderSwedish Research Council