Composition-Dependent Structural and Electronic Properties of alpha-(Si(1-x)C(x))(3)N(4)
文献类型：期刊论文
| 作者 | M. Xu ; S. Xu ; M. Y. Duan ; M. Delanty ; N. Jiang ; H. S. Li ; L. C. Kwek ; K. Ostrikov |
| 刊名 | Journal of Physical Chemistry C
 |
| 出版日期 | 2011 |
| 卷号 | 115期号:5页码:2448-2453 |
| 关键词 | chemical-vapor-deposition silicon-carbon nitride thin-films optical-properties room-temperature alpha-phase growth hard photoluminescence microstructure |
| ISSN号 | 1932-7447 |
| 中文摘要 | The highly unusual structural and electronic properties of the alpha-phase of (Si(1-x)C(x))(3)N(4) are determined by density functional theory (DFT) calculations using the Generalized Gradient Approximation (GGA). The electronic properties of alpha-(Si(1-x)C(x))(3)N(4) are found to be very close to those of alpha-C(3)N(4). The bandgap of alpha-(Si(1-x)C(x))(3)N(4) significantly decreases as C atoms are substituted by Si atoms (in 2 most cases, smaller than that of either alpha-Si(3)N(4) or alpha-C(3)N(4)) and attains a minimum when the ratio of C to Si is close to 2. On the other hand, the bulk modulus of alpha-(Si(1-x)C(x))(3)N(4) is found to be closer to that of alpha-Si(3)N(4) than of alpha-C(3)N(4). Plasma-assisted synthesis experiments of CN(x) and SiCN films are performed to verify the accuracy of the DFT calculations. TEM measurements confirm the calculated lattice constants, and FT-IR/XPS analysis confirms the formation and lengths of C-N and Si-N bonds. The results of DFT calculations are also in a remarkable agreement with the experiments of other authors. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/30799]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | M. Xu,S. Xu,M. Y. Duan,et al. Composition-Dependent Structural and Electronic Properties of alpha-(Si(1-x)C(x))(3)N(4)[J]. Journal of Physical Chemistry C,2011,115(5):2448-2453. |
| APA | M. Xu.,S. Xu.,M. Y. Duan.,M. Delanty.,N. Jiang.,...&K. Ostrikov.(2011).Composition-Dependent Structural and Electronic Properties of alpha-(Si(1-x)C(x))(3)N(4).Journal of Physical Chemistry C,115(5),2448-2453. |
| MLA | M. Xu,et al."Composition-Dependent Structural and Electronic Properties of alpha-(Si(1-x)C(x))(3)N(4)".Journal of Physical Chemistry C 115.5(2011):2448-2453. |
入库方式： OAI收割
来源：金属研究所
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