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Gao, Miao; Ma, Fengjie; Lu, Zhong-Yi; Xiang, Tao; Gao, MA , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China
Surface structures of ternary iron arsenides AFe(2)As(2) (A = Ba, Sr, or Ca)
Source PublicationPHYSICAL REVIEW B
AbstractBy 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.
2010
ISSN1098-0121
Volume81Issue:19Pages:-
Subject AreaPhysics
Indexed BySCI
Funding OrganizationNational Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China ; National Natural Science Foundation of China; MOST, China
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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/5105
Collection理论物理所科研产出_SCI论文
Corresponding AuthorGao, MA , Renmin Univ China, Dept Phys, Beijing 100872, Peoples R China
Recommended Citation
GB/T 7714
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):-.
APA Gao, Miao,Ma, Fengjie,Lu, Zhong-Yi,Xiang, Tao,&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 Gao, Miao,et al."Surface structures of ternary iron arsenides AFe(2)As(2) (A = Ba, Sr, or Ca)".PHYSICAL REVIEW B 81.19(2010):-.
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