Theoretical and spectroscopic investigations on the structure and bonding in B-C-N thin films

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dc.citation.epage1464en_US
dc.citation.issueNumber5en_US
dc.citation.spage1459en_US
dc.citation.volumeNumber518en_US
dc.contributor.authorBengu, E.en_US
dc.contributor.authorGenisel, M. F.en_US
dc.contributor.authorGulseren, O.en_US
dc.contributor.authorOvali, R.en_US
dc.date.accessioned2016-02-08T10:00:47Z
dc.date.available2016-02-08T10:00:47Z
dc.date.issued2009en_US
dc.departmentDepartment of Chemistryen_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractIn this study, we have synthesized boron, carbon, and nitrogen containing films using RF sputter deposition. We investigated the effects of deposition parameters on the chemical environment of boron, carbon, and nitrogen atoms inside the films. Techniques used for this purpose were grazing incidence reflectance-Fourier-transform infrared spectroscopy (GIR-FTIR), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and electron energy loss spectroscopy (EELS). GIR-FTIR experiments on the B-C-N films deposited indicated presence of multiple features in the 600 to 1700 cm- 1 range for the infrared (IR) spectra. Analysis of the IR spectra, XPS and the corresponding EELS data from the films has been done in a collective manner. The results from this study suggested even under nitrogen rich synthesis conditions carbon atoms in the B-C-N films prefer to be surrounded by other carbon atoms rather than boron and/or nitrogen. Furthermore, we have observed a similar behavior in the chemistry of B-C-N films deposited with increasing substrate bias conditions. In order to better understand these results, we have compared and evaluated the relative stability of various nearest-neighbor and structural configurations of carbon atoms in a single BN sheet using DFT calculations. These calculations also indicated that structures and configurations that increase the relative amount of C-C bonding with respect to B-C and/or C-N were energetically favorable than otherwise. As a conclusion, carbon tends to phase-segregate in to carbon clusters rather than displaying a homogeneous distribution for the films deposited in this study under the deposition conditions studied.en_US
dc.identifier.doi10.1016/j.tsf.2009.09.106en_US
dc.identifier.eissn1879-2731
dc.identifier.issn0040-6090
dc.identifier.urihttp://hdl.handle.net/11693/22488
dc.language.isoEnglishen_US
dc.relation.isversionofhttp://dx.doi.org/10.1016/j.tsf.2009.09.106en_US
dc.source.titleThin Solid Filmsen_US
dc.subjectBCNen_US
dc.subjectCarbon atomsen_US
dc.subjectChemical environmenten_US
dc.subjectCN filmen_US
dc.subjectDeposition conditionsen_US
dc.subjectDeposition parametersen_US
dc.subjectDFT calculationen_US
dc.subjectFTIRen_US
dc.subjectGrazing incidenceen_US
dc.subjectHomogeneous distributionen_US
dc.subjectIR spectrumen_US
dc.subjectMultiple featuresen_US
dc.subjectNearest-neighborsen_US
dc.subjectNitrogen atomen_US
dc.subjectNitrogen-containing filmsen_US
dc.subjectRelative stabilitiesen_US
dc.subjectSpectroscopic investigationsen_US
dc.subjectStructural configurationsen_US
dc.subjectSubstrate biasen_US
dc.subjectSynthesis conditionsen_US
dc.subjectTechniques useden_US
dc.subjectTEMen_US
dc.subjectXPSen_US
dc.subjectAtomsen_US
dc.subjectAuger electron spectroscopyen_US
dc.subjectBoronen_US
dc.subjectBoron compoundsen_US
dc.subjectCarbon clustersen_US
dc.subjectElectron energy loss spectroscopyen_US
dc.subjectEnergy dissipationen_US
dc.subjectFourier transform infrared spectroscopyen_US
dc.subjectMetallic filmsen_US
dc.subjectNitrogenen_US
dc.subjectSpectroscopic analysisen_US
dc.subjectSpectroscopyen_US
dc.subjectSulfur compoundsen_US
dc.subjectSynthesis (chemical)en_US
dc.subjectTransmission electron microscopyen_US
dc.subjectX ray photoelectron spectroscopyen_US
dc.subjectCarbon filmsen_US
dc.titleTheoretical and spectroscopic investigations on the structure and bonding in B-C-N thin filmsen_US
dc.typeArticleen_US

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