Electronic structures cobalt group pnictides: BaT2P2 and BaT(2)AS(2) (T = Co, Rh, Ir)
文献类型：期刊论文
| 作者 | Qian, YM ; Xu, G |
| 刊名 | ACTA PHYSICA SINICA
 |
| 出版日期 | 2011 |
| 卷号 | 60期号:6 |
| 关键词 | BAND-STRUCTURE SUPERCONDUCTIVITY MAGNETISM FEAS |
| ISSN号 | 1000-3290 |
| 通讯作者 | Qian, YM: Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | Although the melting of ice is an everyday process, important Issues remain unclear particularly on the nanoscale. Indeed despite extensive studies into ice melting and premelting, little Is known about the relationship between (pre)melting and crystal size and morphology, with, for example, the melting temperature of ice nanocrystals being unclear. Here we report extensive longtime force-field-based molecular dynamics studies of the melting of hexagonal ice nanocrystals in the ca. 2 to 8 nm size range. We show that premelting Is initiated at the corners of the crystals, then the edges between facets, and then the flat surfaces; that Is, the melting temperature is related to the degree of coordination. A strong size dependence of the melting temperature is observed, with the combination of small particle size and premelting leading nanosized ice crystals to have liquid-like surfaces as low as about 130 K below the bulk ice melting temperature. These results will be of relevance in understanding the size dependence of ice crystal morphology and the surface reactivity of ice particles under atmospheric conditions. |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China [90921004] |
| 语种 | 中文 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/37207]  |
| 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 | Qian, YM,Xu, G. Electronic structures cobalt group pnictides: BaT2P2 and BaT(2)AS(2) (T = Co, Rh, Ir)[J]. ACTA PHYSICA SINICA,2011,60(6). |
| APA | Qian, YM,&Xu, G.(2011).Electronic structures cobalt group pnictides: BaT2P2 and BaT(2)AS(2) (T = Co, Rh, Ir).ACTA PHYSICA SINICA,60(6). |
| MLA | Qian, YM,et al."Electronic structures cobalt group pnictides: BaT2P2 and BaT(2)AS(2) (T = Co, Rh, Ir)".ACTA PHYSICA SINICA 60.6(2011). |
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来源：物理研究所
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