Mechanical Properties and Electronic Structures of Cotunnite TiO2
文献类型：期刊论文
| 作者 | Zhao, JZ ; Wang, GT ; Liang, YC |
| 刊名 | CHINESE PHYSICS LETTERS
 |
| 出版日期 | 2008 |
| 卷号 | 25期号:12页码:4356 |
| 关键词 | HARDEST KNOWN OXIDE HIGH-PRESSURE TITANIUM-DIOXIDE PSEUDOPOTENTIALS OSMIUM |
| ISSN号 | 0256-307X |
| 通讯作者 | Liang, YC: Shanghai Ocean Univ, Coll Engn Sci & Technol, Shanghai 201306, Peoples R China. |
| 中文摘要 | Based on the first-principles plane-wave basis pseudopotential calculations, we investigate mechanical properties and electronic structures of the hardest known oxide, cotunnite TiO2 has the highest bulk modulus (348 GPa) and hardness (932 GPa) among the high-pressure phases of TiO2, but its mechanical properties are not superior to those of c-BN. Moreover, the high hardness of cotunnite TiO2 can be understood from both the dense crystal structure (high valence electron density and short bond lengths) and the unusual mixtures of covalent and ionic bonding of Ti-O. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-18 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/41862]  |
| 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 | Zhao, JZ,Wang, GT,Liang, YC. Mechanical Properties and Electronic Structures of Cotunnite TiO2[J]. CHINESE PHYSICS LETTERS,2008,25(12):4356. |
| APA | Zhao, JZ,Wang, GT,&Liang, YC.(2008).Mechanical Properties and Electronic Structures of Cotunnite TiO2.CHINESE PHYSICS LETTERS,25(12),4356. |
| MLA | Zhao, JZ,et al."Mechanical Properties and Electronic Structures of Cotunnite TiO2".CHINESE PHYSICS LETTERS 25.12(2008):4356. |
入库方式： OAI收割
来源：物理研究所
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