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Etching effects during the chemical vapor deposition of (100) diamond
dc.contributor.authorBattaile, Corbett C.en_US
dc.contributor.authorSrolovitz, David J.en_US
dc.contributor.authorOleinik, I. I.en_US
dc.contributor.authorPettifor, D. G.en_US
dc.contributor.authorSutton, A. P.en_US
dc.contributor.authorHarris, S. J.en_US
dc.contributor.authorButler, J. E.en_US
dc.date.accessioned2010-05-06T22:25:35Z
dc.date.available2010-05-06T22:25:35Z
dc.date.issued1999-09-01en_US
dc.identifier.citationBattaile, C. C.; Srolovitz, D. J.; Oleinik, I. I.; Pettifor, D. G.; Sutton, A. P.; Harris, S. J.; Butler, J. E. (1999). "Etching effects during the chemical vapor deposition of (100) diamond." The Journal of Chemical Physics 111(9): 4291-4299. <http://hdl.handle.net/2027.42/70606>en_US
dc.identifier.urihttps://hdl.handle.net/2027.42/70606
dc.description.abstractCurrent theories of CVD growth on (100) diamond are unable to account for the numerous experimental observations of slow-growing, locally smooth (100)(2×1)(100)(2×1) films. In this paper we use quantum mechanical calculations of diamond surface thermochemistry and atomic-scale kinetic Monte Carlo simulations of deposition to investigate the efficacy of preferential etching as a mechanism that can help to reconcile this discrepancy. This etching mechanism allows for the removal of undercoordinated carbon atoms from the diamond surface. In the absence of etching, simulated growth on the (100)(2×1)(100)(2×1) surface is faster than growth on the (110) and (111) surfaces, and the (100) surface is atomically rough. When etching is included in the simulations, the (100) growth rates decrease to values near those observed experimentally, while the rates of growth on the other surfaces remain largely unaffected and similar to those observed experimentally. In addition, the etching mechanism promotes the growth of smooth (100) surface regions in agreement with numerous scanning probe studies. © 1999 American Institute of Physics.en_US
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dc.publisherThe American Institute of Physicsen_US
dc.rights© The American Institute of Physicsen_US
dc.titleEtching effects during the chemical vapor deposition of (100) diamonden_US
dc.typeArticleen_US
dc.subject.hlbsecondlevelPhysicsen_US
dc.subject.hlbtoplevelScienceen_US
dc.description.peerreviewedPeer Revieweden_US
dc.contributor.affiliationumUniversity of Michigan, Department of Materials Science and Engineering, Ann Arbor, Michigan 48109en_US
dc.contributor.affiliationumGeneral Motors R&D Center, Physics and Physical Chemistry Department, Warren, Michigan 48090en_US
dc.contributor.affiliationotherSandia National Laboratories, Materials and Process Computation and Modeling, Albuquerque, New Mexico 87185en_US
dc.contributor.affiliationotherUniversity of Oxford, Department of Materials, Oxford OX1 3PH, United Kingdomen_US
dc.contributor.affiliationotherNaval Research Laboratory, Gas/Surface Dynamics Section, Chemistry Division, Washington, DC 20375en_US
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/70606/2/JCPSA6-111-9-4291-1.pdf
dc.identifier.doi10.1063/1.479727en_US
dc.identifier.sourceThe Journal of Chemical Physicsen_US
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dc.owningcollnamePhysics, Department of


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