新型交生结构自掺杂铁基超导体
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摘要
铁基高温超导体的基本结构单元是反萤石型Fe_2X_2层(X为磷族或硫族元素),因此,设计具有Fe_2X_2层的新化合物成为探索铁基超导材料的有效途径.本文在回顾铁基超导体结构特征和基本结构类型的基础上,归纳总结了铁基超导体块层结构设计的基本原则;着重介绍迄今发现的几类具有层状交生(intergrowth)结构的新型自掺杂铁基超导材料.
The key structural unit of iron-based superconductors(FeSCs) is the Fe_2 X_2( "X" refers to a pnictogen or a chalcogen element) layer which stacks alternately along the crystallographic c axis with other spacer layers. This structural feature makes it possible to find FeSCs via rational material design. In this paper, we first review the crystal structure of FeSCs along with the relevant progress. Then we summarize several rules for designing the intergrowth structures. The rules include the following points. 1) Lattice match between the intergrowth layers should be good enough. Quantitatively,the lattice mismatch, defined as μ=2(aA-aB)/(aA+aB),where aA and aB are respectively the lattice parameters of the two constituent compounds, should be no larger than ～2%. 2) The charge transfer between the intergrowth layers is mostly essential, which acts as the glue that combines the constituent layers together. Such a charge transfer also induces the extra charge carriers in the superconducting key layer to give rise to superconductivity without extrinsic doping(so-called "self doping"). 3) For the structure with similar yet crystallographically distinct sites, one needs to avoid forming solid solutions. 4) Each intergrowth layer is preferably thermodynamically stable. 5) The designed structure can be preliminary evaluated with the "hard and soft acids and bases" conception and ab initio calculations.Following these empirical rules, we introduce and analyze five examples,namely,(Li_(0.8)Fe_(0.2)OH)FeSe,Ba_2 Ti_2 Fe_4 As_4 O,42214-type Ln_4 Fe_2 As_2 Te_(1-x)O_4(Ln = Pr, Sm, Gd), 1144-type AkAeFe4 As4(Ak = K, Rb, Cs; Ae = Ca,Sr,Eu),and 12442-type AkCa_2 Fe_4 As_4 F_2 and AkLn_2 Fe_4 As_4 O_2(Ak = K,Rb, Cs; Ln = Nd-Ho). For the last 12442-type compounds, we also discuss the unusual relation between superconducting transition temperature and crystallographic parameters. We conclude that the structural-design approach may serve as an effective route, not only for discovering new FeSCs but also for exploring other relevant functional materials with similar crystal structures.
The key structural unit of iron-based superconductors(FeSCs) is the Fe_2 X_2( "X" refers to a pnictogen or a chalcogen element) layer which stacks alternately along the crystallographic c axis with other spacer layers. This structural feature makes it possible to find FeSCs via rational material design. In this paper, we first review the crystal structure of FeSCs along with the relevant progress. Then we summarize several rules for designing the intergrowth structures. The rules include the following points. 1) Lattice match between the intergrowth layers should be good enough. Quantitatively,the lattice mismatch, defined as μ=2(aA-aB)/(aA+aB),where aA and aB are respectively the lattice parameters of the two constituent compounds, should be no larger than ～2%. 2) The charge transfer between the intergrowth layers is mostly essential, which acts as the glue that combines the constituent layers together. Such a charge transfer also induces the extra charge carriers in the superconducting key layer to give rise to superconductivity without extrinsic doping(so-called "self doping"). 3) For the structure with similar yet crystallographically distinct sites, one needs to avoid forming solid solutions. 4) Each intergrowth layer is preferably thermodynamically stable. 5) The designed structure can be preliminary evaluated with the "hard and soft acids and bases" conception and ab initio calculations.Following these empirical rules, we introduce and analyze five examples,namely,(Li_(0.8)Fe_(0.2)OH)FeSe,Ba_2 Ti_2 Fe_4 As_4 O,42214-type Ln_4 Fe_2 As_2 Te_(1-x)O_4(Ln = Pr, Sm, Gd), 1144-type AkAeFe4 As4(Ak = K, Rb, Cs; Ae = Ca,Sr,Eu),and 12442-type AkCa_2 Fe_4 As_4 F_2 and AkLn_2 Fe_4 As_4 O_2(Ak = K,Rb, Cs; Ln = Nd-Ho). For the last 12442-type compounds, we also discuss the unusual relation between superconducting transition temperature and crystallographic parameters. We conclude that the structural-design approach may serve as an effective route, not only for discovering new FeSCs but also for exploring other relevant functional materials with similar crystal structures.
引文
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