IMR OpenIR
Tailoring Magnetic Properties of MAX Phases, a Theoretical Investigation of (Cr2Ti)AlC2 and Cr2AlC
Wang, JM; Liu, ZM; Zhang, HB; Wang, JY; Wang, JY (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, High Performance Ceram Div, Shenyang 110016, Peoples R China.
2016-10-01
发表期刊JOURNAL OF THE AMERICAN CERAMIC SOCIETY
ISSN0002-7820
卷号99期号:10页码:3371-3375
摘要(Cr2Ti)AlC2 is a newly discovered MAX phase with ordered occupations of Ti and Cr atoms on M sites. The Cr-containing MAX phase is expected showing magnetic property, which provides functional applications in spintronics and as self-monitoring smart coating. The magnetic states of (Cr2Ti) AlC2 are predicted by GGA and GGA + U methods and compared to those of Cr2AlC. The ground states are predicted as FM or AFM-XX configurations depending on the calculation methods. Analysis of the electronic structure shows that the magnetic moments mainly originate from the net spins of Cr 3d valence electrons, whereas the contribution of other atoms is negligible. The calculated magnetic moments of Cr atoms in (Cr2Ti) AlC2 are higher than those in Cr2AlC due to the larger distance between the out-plane Cr atoms separated by the intercalated nonmagnetic Ti-C slab. This work provides an insight on tailoring magnetic properties of MAX phases by modifying the crystal structure.
部门归属[wang, jiemin ; liu, zhimou ; wang, jingyang] chinese acad sci, shenyang natl lab mat sci, inst met res, high performance ceram div, shenyang 110016, peoples r china ; [zhang, haibin] china acad engn phys, inst nucl phys & chem, mianyang 621900, peoples r china
关键词Max Phases Magnetic Materials/properties Modeling/model
学科领域Materials Science, Ceramics
资助者Natural Sciences Foundation of China [51372252, 51402312]
收录类别sci
语种英语
文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/76244
专题中国科学院金属研究所
通讯作者Wang, JY (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, High Performance Ceram Div, Shenyang 110016, Peoples R China.
推荐引用方式
GB/T 7714
Wang, JM,Liu, ZM,Zhang, HB,et al. Tailoring Magnetic Properties of MAX Phases, a Theoretical Investigation of (Cr2Ti)AlC2 and Cr2AlC[J]. JOURNAL OF THE AMERICAN CERAMIC SOCIETY,2016,99(10):3371-3375.
APA Wang, JM,Liu, ZM,Zhang, HB,Wang, JY,&Wang, JY .(2016).Tailoring Magnetic Properties of MAX Phases, a Theoretical Investigation of (Cr2Ti)AlC2 and Cr2AlC.JOURNAL OF THE AMERICAN CERAMIC SOCIETY,99(10),3371-3375.
MLA Wang, JM,et al."Tailoring Magnetic Properties of MAX Phases, a Theoretical Investigation of (Cr2Ti)AlC2 and Cr2AlC".JOURNAL OF THE AMERICAN CERAMIC SOCIETY 99.10(2016):3371-3375.
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
[Wang, JM]的文章
[Liu, ZM]的文章
[Zhang, HB]的文章
百度学术
百度学术中相似的文章
[Wang, JM]的文章
[Liu, ZM]的文章
[Zhang, HB]的文章
必应学术
必应学术中相似的文章
[Wang, JM]的文章
[Liu, ZM]的文章
[Zhang, HB]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。