Low compressible noble metal carbides with rocksalt structure: Ab initio total energy calculations of the elastic stability
文献类型：期刊论文
| 作者 | Fan, CZ ; Zeng, SY ; Zhan, ZJ ; Liu, RP ; Wang, WK ; Zhang, P ; Yao, YG |
| 刊名 | APPLIED PHYSICS LETTERS
 |
| 出版日期 | 2006 |
| 卷号 | 89期号:7 |
| 关键词 | ELECTRONIC-STRUCTURE PLATINUM CARBIDE BORON-NITRIDE HIGH-PRESSURE 1ST-PRINCIPLES SPECTROSCOPY |
| ISSN号 | 0003-6951 |
| 通讯作者 | Fan, CZ: Harbin Inst Technol, Dept Mat Sci & Engn, Harbin 150001, Peoples R China. |
| 中文摘要 | The authors have systematically studied the mechanical stability of all noble metal carbides with a rocksalt structure by calculating their elastic constants within the density function theory scheme. It was found that only four carbides (RuC, PdC, AgC, and PtC) are mechanically stable. In particular, the authors have shown that RuC, PdC, and PtC have very high bulk modulus, which has been remarkably observed by the most recent experiment for the case of PtC. From the calculated density of states, it can be concluded that these compounds are metallic, like the conventional group IV and group V transition metal carbides. (c) 2006 American Institute of Physics. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-18 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/40988]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Fan, CZ,Zeng, SY,Zhan, ZJ,et al. Low compressible noble metal carbides with rocksalt structure: Ab initio total energy calculations of the elastic stability[J]. APPLIED PHYSICS LETTERS,2006,89(7). |
| APA | Fan, CZ.,Zeng, SY.,Zhan, ZJ.,Liu, RP.,Wang, WK.,...&Yao, YG.(2006).Low compressible noble metal carbides with rocksalt structure: Ab initio total energy calculations of the elastic stability.APPLIED PHYSICS LETTERS,89(7). |
| MLA | Fan, CZ,et al."Low compressible noble metal carbides with rocksalt structure: Ab initio total energy calculations of the elastic stability".APPLIED PHYSICS LETTERS 89.7(2006). |
入库方式： OAI收割
来源：物理研究所
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