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题名: Surface structures of ternary iron arsenides AFe(2)As(2) (A = Ba, Sr, or Ca)
作者: Gao, Miao ;  Ma, Fengjie ;  Lu, Zhong-Yi ;  Xiang, Tao
刊名: PHYSICAL REVIEW B
出版日期: 2010
卷号: 81, 期号:19, 页码:-
学科分类: Physics
通讯作者: Gao, MA , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China
部门归属: [Gao, MA; Ma, FJ; Lu, ZY] Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China; [Ma, FJ; Xiang, T] Chinese Acad Sci, Inst Theoret Phys, Beijing 100190, Peoples R China; [Xiang, T] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
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.
资助者: National Natural Science Foundation of China; MOST, China
收录类别: SCI
原文出处: 查看原文
WOS记录号: WOS:000278142000019
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/5105
Appears in Collections:理论物理所1978-2010年知识产出_期刊论文

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Recommended Citation:
Gao, Miao,Ma, Fengjie,Lu, Zhong-Yi,et al. Surface structures of ternary iron arsenides AFe(2)As(2) (A = Ba, Sr, or Ca)[J]. PHYSICAL REVIEW B,2010,81(19):-.
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