Electronic structures, band-gap origins and magnetisms of Ti2Cr-based alloys with CuHg2Ti-type structure
文献类型：期刊论文
| 作者 | Jia, HY ; Dai, XF ; Wang, LY ; Liu, R ; Wang, XT ; Li, PP ; Cui, YT ; Wang, WH ; Wu, GH ; Liu, GD |
| 刊名 | ACTA PHYSICA SINICA
 |
| 出版日期 | 2014 |
| 卷号 | 63期号:10 |
| 关键词 | Heusler alloy half-metallic material spin-gapless materials |
| ISSN号 | 1000-3290 |
| 通讯作者 | Liu, GD (reprint author), Hebei Univ Technol, Sch Mat Sci & Engn, Tianjin 300130, Peoples R China. |
| 中文摘要 | The electronic structures, band-gap origins and magnetisms of Ti2Cr-based alloys with CuHg2Ti-type structure are studied using the first principles calculations. It is found that Ti2CrK (K = Si, Ge) alloys are semiconductors Ti2CrK (K = Sb, Bi) alloys are predicted to be half-metallic ferrimagnets and their half-metallic band gaps are affected directly by the S states of Sb and Bi atoms. Ti2CrSn alloy is a completely-compensated ferrimagnetic semiconductor. Due to the different band-gap origins of Ti2CrSn alloy in two spin directions, we can adjust the width of band gap by doping engineering. The ferrimagnetic spin-gapless materials are achieved by substituting Si or Ge for Sn. Substituting Fe or Mn for Cr, we gain a series of half-metallic materials. Ti2Cr1-xFexSn and Ti2Cr1-xMnxSn alloys are in ferrimagnetic states. All the half-metallic Ti2Cr-based alloys follow M-total = Z(t) - 18 rule (M-total is the total magnetic moment and Z(t) is the valence concentration). |
| 资助信息 | National Natural Science Foundation of China [51271071, 11074160]; Program for New Century Excellent Talents in University of Ministry of Education of China [NCET-10-0126]; Key Basic Research Program of Applied Basic Research Program of Hebei Province, China [12965136D]; Natural Science Foundation of Hebei Province, China [E2013202181]; Science and Technology Research Foundation for Young Scholars of Higher Education of Hebei Province, China [Q2012008] |
| 语种 | 英语 |
| 公开日期 | 2015-04-14 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/58812]  |
| 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 | Jia, HY,Dai, XF,Wang, LY,et al. Electronic structures, band-gap origins and magnetisms of Ti2Cr-based alloys with CuHg2Ti-type structure[J]. ACTA PHYSICA SINICA,2014,63(10). |
| APA | Jia, HY.,Dai, XF.,Wang, LY.,Liu, R.,Wang, XT.,...&Liu, GD.(2014).Electronic structures, band-gap origins and magnetisms of Ti2Cr-based alloys with CuHg2Ti-type structure.ACTA PHYSICA SINICA,63(10). |
| MLA | Jia, HY,et al."Electronic structures, band-gap origins and magnetisms of Ti2Cr-based alloys with CuHg2Ti-type structure".ACTA PHYSICA SINICA 63.10(2014). |
入库方式： OAI收割
来源：物理研究所
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