Prediction of a sandwichlike conducting superhard boron carbide: First-principles calculations
文献类型：期刊论文
| 作者 | Z. Y. Liu ; J. L. He ; J. Yang ; X. J. Guo ; H. Sun ; H. T. Wang ; E. Wu ; Y. J. Tian |
| 刊名 | Physical Review B
 |
| 出版日期 | 2006 |
| 卷号 | 73期号:17 |
| 关键词 | structural-properties carbon nitride approximation beta-c3n4 diamond solids films bc3 |
| ISSN号 | 1098-0121 |
| 中文摘要 | Our first principles calculations predict a tetragonal BC3 (t-BC3) phase originating from the cubic diamond structure. The t-BC3 structure is formed by alternately stacking sequence of metallic CBC and insulating CCC blocks, exhibiting a sandwichlike metal and/or insulator layered structure with the anisotropic conductivity on the basal planes formed by the metallic CBC blocks. Its stability has been confirmed by our calculations of the total energy, elastic constants, and phonon frequencies. A low critical pressure of similar to 4 GPa for a synthesis of the t-BC3 from the graphitelike BC3 (g-BC3) is expected. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34376]  |
| 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 | Z. Y. Liu,J. L. He,J. Yang,et al. Prediction of a sandwichlike conducting superhard boron carbide: First-principles calculations[J]. Physical Review B,2006,73(17). |
| APA | Z. Y. Liu.,J. L. He.,J. Yang.,X. J. Guo.,H. Sun.,...&Y. J. Tian.(2006).Prediction of a sandwichlike conducting superhard boron carbide: First-principles calculations.Physical Review B,73(17). |
| MLA | Z. Y. Liu,et al."Prediction of a sandwichlike conducting superhard boron carbide: First-principles calculations".Physical Review B 73.17(2006). |
入库方式： OAI收割
来源：金属研究所
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