Electronic and mechanical properties of 5d transition metal mononitrides via first principles
文献类型：期刊论文
| 作者 | Zhao EJ ; Wu ZJ |
| 刊名 | journal of solid state chemistry
 |
| 出版日期 | 2008 |
| 卷号 | 181期号:10页码:2814-2817 |
| 关键词 | NACL-TYPE STRUCTURE TANTALUM NITRIDE COHESIVE PROPERTIES THIN-FILMS 1ST-PRINCIPLES CALCULATIONS ELASTIC PROPERTIES HAFNIUM NITRIDE CARBIDES TAN PRESSURE |
| ISSN号 | 0022-4596 |
| 通讯作者 | wu zj |
| 中文摘要 | the electronic and mechanical properties of 5d transition metal mononitrides from lan to aun are systematically investigated by use of the density-functional theory. for each nitride, six structures are considered, i.e., rocksalt, zinc blende, cscl, wurtzite, nias and wc structures. among the considered structures, rocksalt structure is the most stable for lan, hfn and alin, wc structure for tan, nias structure for wn, wurtzite structure for ren, osn, irn and ptn. the most stable structure for each nitride is mechanically stable. the formation enthalpy increases from lan to aun. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000260441000040 |
| 公开日期 | 2010-04-14 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/10599]  |
| 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 | Zhao EJ,Wu ZJ. Electronic and mechanical properties of 5d transition metal mononitrides via first principles[J]. journal of solid state chemistry,2008,181(10):2814-2817. |
| APA | Zhao EJ,&Wu ZJ.(2008).Electronic and mechanical properties of 5d transition metal mononitrides via first principles.journal of solid state chemistry,181(10),2814-2817. |
| MLA | Zhao EJ,et al."Electronic and mechanical properties of 5d transition metal mononitrides via first principles".journal of solid state chemistry 181.10(2008):2814-2817. |
入库方式： OAI收割
来源：长春应用化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。