Novel high-pressure phase with pseudo-benzene "N-6" molecule of LiN3
文献类型：期刊论文
| 作者 | Zhang MG ; Yan HY ; Wei Q ; Wang H ; Wu ZJ |
| 刊名 | epl
 |
| 出版日期 | 2013 |
| 卷号 | 101期号:2页码:文献号: 26004 |
| 关键词 | LITHIUM AZIDE SODIUM-AZIDE NITROGEN FORM |
| ISSN号 | 0295-5075 |
| 通讯作者 | zhang mg |
| 中文摘要 | the pressure-induced formation of a hexagonal phase (p6/m, z = 2) of lin3 is predicted by particle swarm optimization (pso) structural search at zero temperature and pressure of > 34.7gpa. compared to the ground-state insulator c2/m phase, the p6/m-lin3 is found to possess a metallic feature dominated by the 2p(z) bands. electron topological analysis revealed an intriguing phase change of nitrogen, from azide to novel pseudo-benzene "n-6" molecules at the formation of the p6/m phase. the occurrence of this hexagonal phase follows the polymerization of the typical linear n-3(-) anion molecular chains in the low-pressure molecular phases of lin3 and is originated from the volume reduction favorable for a denser structure packing under compression. copyright (c) epla, 2013 |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000314677100023 |
| 公开日期 | 2014-04-18 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/50355]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhang MG,Yan HY,Wei Q,et al. Novel high-pressure phase with pseudo-benzene "N-6" molecule of LiN3[J]. epl,2013,101(2):文献号: 26004. |
| APA | Zhang MG,Yan HY,Wei Q,Wang H,&Wu ZJ.(2013).Novel high-pressure phase with pseudo-benzene "N-6" molecule of LiN3.epl,101(2),文献号: 26004. |
| MLA | Zhang MG,et al."Novel high-pressure phase with pseudo-benzene "N-6" molecule of LiN3".epl 101.2(2013):文献号: 26004. |
入库方式： OAI收割
来源：长春应用化学研究所
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