NIMTE OpenIR  > 2018专题
A theoretical study of thermal vacancy formation enthalpy of disordered FePt doped by Cu, Zn and Ag
Luo, H. B.; Du, J.; Yan, A. R.; Liu, J. P.
2018
发表期刊COMPUTATIONAL MATERIALS SCIENCE
卷号144页码:120-125
摘要A fast ordering transition of FePt from an A1 phase to an L1(0) phase is crucial for its promising applications as thin films or nanoparticles. Doping has been taken as an effective approach to achieve this goal. However, the mechanism is still unclear and even different experiments show conflict results. Since the ordering process strongly relies on the atomic migration dominated by the vacancy mechanism, we calculate the vacancy formation enthalpies of A1-FePt doped by Cu, Zn and Ag, respectively, using first-principles method. The results show that doping Cu or Ag significantly reduces the vacancy formation enthalpy of FePt at the same temperature, whereas doping Zn does not make much difference. Hence, doping Cu or Ag may effectively increase the vacancy concentration and favor an accelerated ordering transition. The generation of vacancies depends energetically on the local atomic environments in the alloy, which has been discussed in detail with the atomic bond stability. (C) 2017 Elsevier B.V. All rights reserved.
关键词Thin-films Alloy Nanoparticles
学科领域Chemistry ; Energy & Fuels ; Engineering
语种英语
文献类型期刊论文
条目标识符http://ir.nimte.ac.cn/handle/174433/16787
专题2018专题
推荐引用方式
GB/T 7714
Luo, H. B.,Du, J.,Yan, A. R.,et al. A theoretical study of thermal vacancy formation enthalpy of disordered FePt doped by Cu, Zn and Ag[J]. COMPUTATIONAL MATERIALS SCIENCE,2018,144:120-125.
APA Luo, H. B.,Du, J.,Yan, A. R.,&Liu, J. P..(2018).A theoretical study of thermal vacancy formation enthalpy of disordered FePt doped by Cu, Zn and Ag.COMPUTATIONAL MATERIALS SCIENCE,144,120-125.
MLA Luo, H. B.,et al."A theoretical study of thermal vacancy formation enthalpy of disordered FePt doped by Cu, Zn and Ag".COMPUTATIONAL MATERIALS SCIENCE 144(2018):120-125.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Luo, H. B.]的文章
[Du, J.]的文章
[Yan, A. R.]的文章
百度学术
百度学术中相似的文章
[Luo, H. B.]的文章
[Du, J.]的文章
[Yan, A. R.]的文章
必应学术
必应学术中相似的文章
[Luo, H. B.]的文章
[Du, J.]的文章
[Yan, A. R.]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

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。