Structural Phase Transformations of Mg3N2 at High Pressure: Experimental and Theoretical Studies
文献类型：期刊论文
| 作者 | Hao, J; Li, YW; Zhou, Q ; Iiu, D; Li, M; Li, FF; Lei, WW; Chen, XH; Ma, YM; Cui, QL
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| 刊名 | INORGANIC CHEMISTRY
 |
| 出版日期 | 2009 |
| 卷号 | 48期号:20页码:9737-9741 |
| 通讯作者 | [Hao, Jian ; Li, Yinwei ; Zhou, Qiang ; Iiu, Dan ; Li, Min ; Li, Fangfei ; Lei, Weiwei ; Chen, Xiaohui ; Ma, Yanming ; Cui, Qiliang ; Zou, Guangtian] Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China ; [Liu, Jing ; Li, Xiaodong] Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Lab, Beijing 100039, Peoples R China |
| 英文摘要 | The structural behavior of Mg3N2 has been investigated up to 40.7 GPa at room temperature by means of angle-dispersive X-ray diffraction. A reversible, first-order structural phase transition from the ambient cubic phase (la (3) over bar) to a high-pressure monoclinic phase (C2/m) is found to start at similar to 20.6 GPa and complete at similar to 32.5 GPa for the first time. The equation of state determined from our experiments yields bulk moduli of 110.7(2) and 171.5(1) GPa for the cubic and monoclinic phases, respectively, indicating higher incompressibility of the high-pressure phase Of Mg3N2. First-principles calculations reproduced the phase stability and transition pressure determined in our experiment, In addition, a second phase transition from the monoclinic phase to a hexagonal phase (P (3) over barm(1)) was predicted around 67 GPa for Mg3N2. The electronic band structures of three phases of Mg3N2 are also calculated and discussed. |
| 学科主题 | Chemistry |
| 类目[WOS] | Chemistry, Inorganic & Nuclear |
| 研究领域[WOS] | Chemistry |
| 原文出处 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000270561400018 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/240163]  |
| 专题 | 高能物理研究所_多学科研究中心 高能物理研究所_加速器中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Hao, J,Li, YW,Zhou, Q,et al. Structural Phase Transformations of Mg3N2 at High Pressure: Experimental and Theoretical Studies[J]. INORGANIC CHEMISTRY,2009,48(20):9737-9741. |
| APA | Hao, J.,Li, YW.,Zhou, Q.,Iiu, D.,Li, M.,...&李晓东.(2009).Structural Phase Transformations of Mg3N2 at High Pressure: Experimental and Theoretical Studies.INORGANIC CHEMISTRY,48(20),9737-9741. |
| MLA | Hao, J,et al."Structural Phase Transformations of Mg3N2 at High Pressure: Experimental and Theoretical Studies".INORGANIC CHEMISTRY 48.20(2009):9737-9741. |
入库方式： OAI收割
来源：高能物理研究所
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