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

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      Author
      Bengu, E.
      Genisel, M. F.
      Gulseren, O.
      Ovali, R.
      Date
      2009
      Source Title
      Thin Solid Films
      Print ISSN
      0040-6090
      Electronic ISSN
      1879-2731
      Volume
      518
      Issue
      5
      Pages
      1459 - 1464
      Language
      English
      Type
      Article
      Item Usage Stats
      120
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      95
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      Abstract
      In 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.
      Keywords
      BCN
      Carbon atoms
      Chemical environment
      CN film
      Deposition conditions
      Deposition parameters
      DFT calculation
      FTIR
      Grazing incidence
      Homogeneous distribution
      IR spectrum
      Multiple features
      Nearest-neighbors
      Nitrogen atom
      Nitrogen-containing films
      Relative stabilities
      Spectroscopic investigations
      Structural configurations
      Substrate bias
      Synthesis conditions
      Techniques used
      TEM
      XPS
      Atoms
      Auger electron spectroscopy
      Boron
      Boron compounds
      Carbon clusters
      Electron energy loss spectroscopy
      Energy dissipation
      Fourier transform infrared spectroscopy
      Metallic films
      Nitrogen
      Spectroscopic analysis
      Spectroscopy
      Sulfur compounds
      Synthesis (chemical)
      Transmission electron microscopy
      X ray photoelectron spectroscopy
      Carbon films
      Permalink
      http://hdl.handle.net/11693/22488
      Published Version (Please cite this version)
      http://dx.doi.org/10.1016/j.tsf.2009.09.106
      Collections
      • Department of Chemistry 594
      • Department of Physics 2299
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