Theoretical and spectroscopic investigations on the structure and bonding in B-C-N thin films
Author
Bengu, E.
Genisel, M. F.
Gulseren, O.
Ovali, R.
Date
2009Source Title
Thin Solid Films
Print ISSN
0040-6090
Electronic ISSN
1879-2731
Volume
518
Issue
5
Pages
1459 - 1464
Language
English
Type
ArticleItem Usage Stats
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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
BCNCarbon 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/11693/22488Published Version (Please cite this version)
http://dx.doi.org/10.1016/j.tsf.2009.09.106Collections
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