TY - JOUR
T1 - Study on local structures of CxN1-x films by first-principles 1s orbital energy calculations
AU - Morisato, Tsuguo
AU - Ohno, Kaoru
AU - Kawazoe, Yoshiyuki
AU - Kusunoki, Isao
N1 - Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.
PY - 2000/5
Y1 - 2000/5
N2 - The 1s orbital energy of carbon and nitron in α-C3N4, β-C3N4 and graphitic-C3N4 structures were calculated using the First-Principles method. The all-electron mixed-basis approach was used for the calculations. The numerical results were then compared to the results from the X-ray photoelectron spectroscopic study. The local structure of an amorphous CxN1-x was found to be similar to that of β-C3N4 or graphitic-C3N4.
AB - The 1s orbital energy of carbon and nitron in α-C3N4, β-C3N4 and graphitic-C3N4 structures were calculated using the First-Principles method. The all-electron mixed-basis approach was used for the calculations. The numerical results were then compared to the results from the X-ray photoelectron spectroscopic study. The local structure of an amorphous CxN1-x was found to be similar to that of β-C3N4 or graphitic-C3N4.
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U2 - 10.2320/matertrans1989.41.628
DO - 10.2320/matertrans1989.41.628
M3 - Article
AN - SCOPUS:0033717949
VL - 41
SP - 628
EP - 630
JO - [No source information available]
JF - [No source information available]
IS - 5
ER -