Surface structures of ternary iron arsenides AFe(2)As(2) (A = Ba, Sr, or Ca)
文献类型：期刊论文
| 作者 | Xiang, Tao ; Gao, Miao; Ma, Fengjie; Lu, Zhong-Yi; Gao, MA , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China
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| 刊名 | PHYSICAL REVIEW B
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| 出版日期 | 2010 |
| 卷号 | 81期号:19页码:- |
| ISSN号 | 1098-0121 |
| 英文摘要 | By the first-principles electronic structure calculations, we find that energetically the most favorable cleaved AFe(2)As(2)(001) surface is A-terminated with either root 2 x root 2 or 1 x 2 order. For BaFe(2)As(2), the surface Ba atoms are predominantly in a root 2 x root 2 order. A low-temperature cleaving may generate a metastable As-terminated surface. The As-terminated surface in the antiferromagnetic orthorhombic BaFe(2)As(2) also takes a root 2 x root 2 order, resulting from the buckling of the surface As atoms and giving rise to a switchable root 2 x root 2 scanning tunneling microscopy (STM) pattern upon varying the applied bias. In a 1 x 2-ordered A-terminated surface, the high-density spots in the STM image do not directly correspond to the positions of surface atoms. Our results are consistent with the STM observations and resolve the discrepancy between different experimental groups. The study helps establish a physical picture to understand the cleaved AFe(2)As(2) surfaces. |
| 学科主题 | Physics |
| URL标识 | 查看原文 |
| WOS记录号 | WOS:000278142000019 |
| 公开日期 | 2012-08-02 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/5105]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
| 通讯作者 | Gao, MA , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xiang, Tao,Gao, Miao,Ma, Fengjie,et al. Surface structures of ternary iron arsenides AFe(2)As(2) (A = Ba, Sr, or Ca)[J]. PHYSICAL REVIEW B,2010,81(19):-. |
| APA | Xiang, Tao,Gao, Miao,Ma, Fengjie,Lu, Zhong-Yi,&Gao, MA , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China.(2010).Surface structures of ternary iron arsenides AFe(2)As(2) (A = Ba, Sr, or Ca).PHYSICAL REVIEW B,81(19),-. |
| MLA | Xiang, Tao,et al."Surface structures of ternary iron arsenides AFe(2)As(2) (A = Ba, Sr, or Ca)".PHYSICAL REVIEW B 81.19(2010):-. |
入库方式： OAI收割
来源：理论物理研究所
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