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Simulation of Material Properties of Amorphous Carbon Nitride with Non-uniform Nitrogen Distribution
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  • Simulation of Material Properties of Amorphous Carbon Nitride with Non-uniform Nitrogen Distribution
  • Simulation of Material Properties of Amorphous Carbon Nitride with Non-uniform Nitrogen Distribution
저자명
Lu. Y.F.,He. Z.F.
간행물명
Transactions on electrical and electronic materials
권/호정보
2001년|2권 3호|pp.1-6 (6 pages)
발행정보
한국전기전자재료학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

A simulation method is proposed to study the amorphous structure of carbon nitride. The material properties of a non-uniform nitrogen distribution in an amorphous CN matrix can be studied. The cohesive energy of a group of randomly generated atoms can be minimized to find the relative positions of atoms. From the calculated configuration of atoms, many properties of amorphous carbon nitride can be calculated such as bulk modulus, P-V curve, sp$^3$/sp$^2$ ratio of carbon, and vibrational spectra. The calculation shows that the cohesive energy of non-uniform nitrogen distribution is lower than that of a uniform distribution. This may suggest that the regular structure of carbon nitride can at most be metastable. It is not easy to incorporate nitrogen atoms into a carbon matrix.