First-principles calculations for anisotropy of iron-based superconductors

We perform first-principles calculations for anisotropy of various iron-based superconductors. The anisotropy ratio γ_λ of the c-axis penetration depth to the ab-plane one is relatively small in BaFe₂As₂, LiFeAs and FeSe, indicating that the transport applications are promising in these superconductors. On the other hand, in those having perovskite-type blocking layers such as Sr₂ScFePO₃ we find a very large value, γ_λ ? 200, comparable to that in strongly anisotropic high-T_c cuprate Bi₂Sr₂CaCu₂O_8−δ. Thus, the intrinsic Josephson junction stacks are expected to be formed along the c-axis, and novel Josephson effects due to the multi-gap nature are also suggested in these superconductors. We also examine the doping effect on the anisotropy of LaFeAsO.     

Ab initio evidence for strong correlation associated with Mott proximity in iron-based superconductors

We predict that iron-based superconductors discovered near d(6) configuration (5 Fe 3d orbitals filled by 6 electrons) is located on the foot of an unexpectedly large dome of correlated electron matter centered at the Mott insulator at d(5) (namely, half filling). This is based on the many-variable variational Monte Carlo results for ab initio low-energy models derived by the downfolding. The d(5) Mott proximity extends to subsequent emergence of incoherent metals, orbital differentiations due to the Mott physics, and Hund's rule coupling, followed by antiferromagnetic quantum criticality, in quantitative accordance with available experiments.     

Two-dimensionality of electronic structure and strong Fermi surface nesting in highly anisotropic iron-based superconductors

We perform first-principle calculations for a newly discovered iron-based superconductor, Sr₂ScFePO₃, whose blocking layer is a thick perovskite-based oxide (Sr₂ScO₃) and compare its result with those of other typical iron-based compounds, in order to make a strategy to explore iron-based compounds with higher superconducting transition temperature T_c. Consequently, we find that the thick blocking layer like Sr₂ScO₃ brings about perfectly cylindrical hole and electron Fermi surfaces. This can give much better nesting condition between disconnected Fermi surfaces compared to other types of iron-based superconductor compounds.     

高压下的铁基超导体:现象与物理

始于2008年的铁基超导体研究续写了高温超导发展史的新篇章.回顾过去十年对铁基超导体的研究,在理论、实验及应用方面都取得了辉煌的成绩,丰富了人们对高温超导电性的认识,为突破高温超导机理研究、最终实现超导材料的人工设计与更广泛的应用奠定了坚实的基础.本文主要介绍了通过高压实验研究手段在铁基超导体的研究中取得的一些重要进展及呈现出的新现象和新物理,例如压致超导现象、压力导致的超导再进入现象、压力对超导转变温度的提升效应、压力研究对铁基超导体超导转变温度的预测、相分离结构对超导电性的影响及反铁磁-超导双临界点的发现等.希望这些高压研究结果与本文报道的其他各类实验与理论研究成果一起,为全面、深入地理解铁基超导体勾画出一幅较为完整的物理图像.     

铁基超导体的量子临界行为

铁基超导体呈现丰富的电子相图, 各种有序态相互交叠. 本文主要介绍利用核磁共振手段在空穴型和电子型掺杂的BaFe₂As₂以及LaFeAsO_1-xF_x这三种具有代表性的铁基超导体中探测到的反铁磁序与超导序的微观共存、量子临界点和量子临界行为. 实验发现, 无论在空穴型还是电子型掺杂的铁基超导体中, 反铁磁相变温度都随着掺杂被抑制, 并最终在某个掺杂量降到零温而形成量子临界点. 在反铁磁转变温度之上存在结构相变, 其转变温度也随着掺杂而降低. 核磁共振谱证实结构相变也形成一个量子临界点. 本文介绍核磁共振及输运测量揭示的这两种量子临界点附近存在的量子临界行为, 共存态下奇异的超导性质等.     

Neutron scattering of iron-based superconductors

Low-energy spin excitations have been studied on polycrystalline LaFeAsO_1?xF_x samples by inelastic neutron scattering. The Q-integrated dynamical spin susceptibility χ″(ω) of the superconducting samples is found to be comparable to that of the magnetically ordered parent sample. On the other hand, χ″(ω) almost vanishes at x = 0.158, where the superconducting transition temperature T_c is suppressed to 7 K. In addition, χ″(ω) in optimally doped LaFeAsO_0.918F_0.082 with T_c = 29 K exhibits a spin resonance mode. The peak energy, E_res, when scaled by k_BT_c is similar to the value of about 4.7 reported in other high-T_c iron-based superconductors. This result suggests that there is intimate relationship between the dynamical spin susceptibility and high-T_c superconductivity in iron-based superconductors, and is consistent with a nesting condition between Fermi surfaces at the Γ and M points.     

Current status of iron-based superconductors

Current status of iron-based superconductors is summarized. Although short range magnetic ordering and magnetic phase separation of Fe are controversial, (long range) magnetic and electronic phase diagrams of iron based superconductors can be classified into two-type. Antiferromagnetic ordering of itinerant Fe does not coexist with superconducting phase of SmFeAsO_1???xF_x. The very large H _c2 of iron-based superconductors attract us to attempts at applications.     

铁基超导体的微结构和结构相变研究

铁基超导体表现出丰富的结构和物理性质,在多个典型体系中存在着结构相变和多重有序态之间的关联与竞争. 例如,母相化合物LaFeAsO在150K附近发生从四方相(P4/nmm)到正交相(Cmma)的结构相变,同时其电输运性质和磁化率也表现出明显的反常行为. 微结构分析发现,在CaFe2As2 样品中,存在准周期调制结构,而且在低温区,122体系存在丰富的孪晶畴结构,这种孪晶结构是结构相变的直接结果. 另外,在超导材料KxFe2-ySe2 （0.7≤x≤0.8, 0.2≤y≤0.4）中,Fe空位有序态和结构相分离是理解其结构,也是理解其磁性和输运性质的关键问题,特别是沿［130］晶体带轴方向的5倍超结构与系统的超导电性存在密切关系.     

Thermal fluctuation conductivity and dimensionality in iron-based superconductors

The time-dependent Ginzburg–Landau Lawrence–Doniach model is used to investigate the superconducting fluctuation electrical conductivities.The theoretical result based on the self-consistent Gaussian approximation is used to fit the transport measurement data of iron-based superconductors F-doped La OFe As and Ba Fe_(2-x)Ni_xAs_2.We demonstrate that La OFe As shows layered behavior,while Ba Fe_(2-x)Ni_xAs_2 is more of a 3D feature.The conductivity in the region near Tc is well described by the theoretical formula.     

铁基超导体的微结构和结构相变研究

铁基超导体表现出丰富的结构和物理性质,在多个典型体系中存在着结构相变和多重有序态之间的关联与竞争.例如,母相化合物LaFeAsO在150K附近发生从四方相（P4/nmm）到正交相（Cmma）的结构相变,同时其电输运性质和磁化率也表现出明显的反常行为.微结构分析发现,在CaFe2As2样品中,存在准周期调制结构,而且在低温区,122体系存在丰富的孪晶畴结构,这种孪晶结构是结构相变的直接结果.另外,在超导材料KxFe2-ySe2（0.7≤x≤0.8,0.2≤y≤0.4）中,Fe空位有序态和结构相分离是理解其结构,也是理解其磁性和输运性质的关键问题,特别是沿[130]晶体带轴方向的5倍超结构与系统的超导电性存在密切关系.     

Effect of transition-metal substitution in iron-based superconductors

We study theoretically the effect of transition-metal (TM) substitution in iron-based superconductors through treating all of the TM ions as randomly distributed impurities. The extra electrons from TM elements are localized at the impurity sites. In the meantime the chemical potential shifts upon substitution. The phase diagram is mapped out and it seems that the TM elements can act as effective dopants. The local density of states (LDOS) is calculated and the bottom becomes V-shaped as the impurity concentration increases. The LDOS at the Fermi energy ρ(ω = 0) is finite and reaches the minimum at the optimal doping level. Our results are in good agreement with scanning tunneling microscopy experiments.     

Microstructure and structural phase transitions in iron-based superconductors

Crystal structures and microstructural features, such as structural phase transitions, defect structures, and chemical and structural inhomogeneities, are known to have profound effects on the physical properties of superconducting materials. Recently, many studies on the structural properties of Fe-based high-Tc superconductors have been published. This review article will mainly focus on the typical microstructural features in samples that have been well characterized by physical measurements. （i） Certain common structural features are discussed, in particular, the crystal structural features for different superconducting families, the local structural distortions in the Fe2Pn2 （Pn = P, As, Sb） or FeeCh2 （Ch = S, Se, Te） blocks, and the structural transformations in the 122 system. （ii） In FeTe（Se） （11 family）, the superconductivity, chemical and structural inhomogeneities are investigated and discussed in correlation with superconductivity. （iii） In the Ko.sFe1.6＋xSe2 system, we focus on the typical compounds with emphasis on the Fe-vacancy order and phase separations. The microstructural features in other superconducting materials are also briefly discussed.     

铁基超导体中的反铁磁序和自旋动力学

类似于其他非常规超导材料,铁基高温超导电性通常出现在静态长程反铁磁序被抑制之后,并且强烈的自旋涨落始终与超导电性相伴相生,因此理解磁性相互作用是建立铁基超导微观机理的重要前提.中子散射作为研究凝聚态物质中磁性相互作用的有力工具,在揭示铁基超导电性的磁性起源方面起到了关键作用.本文系统总结了近十年来铁基超导材料的中子散射研究结果,包括铁基超导材料中的静态磁结构、磁性相变、动态磁激发、电子向列相等,并探讨它们与超导电性之间的关系.     

Exploring Majorana zero modes in iron-based superconductors

Majorana zero modes (MZMs) are Majorana-fermion-like quasiparticles existing in crystals or hybrid platforms with topologically non-trivial electronic structures. They obey non-Abelian braiding statistics and are considered promising to realize topological quantum computing. Discovery of MZM in the vortices of the iron-based superconductors (IBSs) has recently fueled the Majorana research in a way which not only removes the material barrier requiring construction of complicated hybrid artificial structures, but also enables observation of pure MZMs under higher temperatures. So far, MZMs have been observed in iron-based superconductors including FeTe_0.55Se_0.45, (Li_0.84Fe_0.16)OHFeSe, CaKFe₄As₄, and LiFeAs. In this topical review, we present an overview of the recent STM studies on the MZMs in IBSs. We start with the observation of MZMs in the vortices in FeTe_0.55Se_0.45 and discuss the pros and cons of FeTe_0.55Se_0.45 compared with other platforms. We then review the following up discovery of MZMs in vortices of CaKFe₄As₄, impurity-assisted vortices of LiFeAs, and quantum anomalous vortices in FeTe_0.55Se_0.45, illustrating the pathway of the developments of MZM research in IBSs. Finally, we give perspective on future experimental works in this field.     

铁基超导体的输运性质

在铁基超导体中存在着多种有序态,例如电子向列相和自旋密度波等,从而呈现出丰富的物理现象.输运性质的测量能为认识铁基超导体的低能激发提供极为有用的信息.铁砷超导体由于其电子结构的多能带特性,其电阻率和霍尔系数与温度的关系出现多样性的变化,但在正常态并没有看到有类似铜氧化物超导体的赝能隙打开等奇异行为.在空穴型掺杂的铁基超导体中观测到霍尔系数在低温下变号,对应温区的电阻率上出现一个很宽的鼓包等,可能是从非相干到相干态的转变.热电势行为也表现出与铜氧化物超导体的明显差异,比如铁基超导体的正常态热电势的绝对值反而在最佳掺杂区是最大的,这也许跟强的带间散射有关.能斯特效应表明铁基超导体在Tc以上的超导位相涨落并不明显,与铜氧化物超导体存在明显差别.在铁基超导体上所显示出来的这些反常热电性质,并没有在类似结构的镍基超导体(如LaNiAsO)上观测到,镍基超导体表现得更像一个通常的金属.这些均说明铁基超导体的奇异输运性质与其高温超导电性存在内在的关联,这些因素是建立其超导机理时需要考虑进去的.     

Hybrid crystals of cuprates and iron-based superconductors

We propose two possible new compounds, Ba_2CuO_2Fe_2As_2and K_2CuO_2Fe_2Se_2, which hybridize the building blocks of two high temperature superconductors, cuprates and iron-based superconductors. These compounds consist of square CuO_2 layers and antifluorite-type Fe_2X_2(X = As, Se) layers separated by Ba/K. The calculations of binding energies and phonon spectra indicate that they are dynamically stable, which ensures that they may be experimentally synthesized. The Fermi surfaces and electronic structures of the two compounds inherit the characteristics of both cuprates and iron-based superconductors. These compounds can be superconductors with intriguing physical properties to help to determine the pairing mechanisms of high Tc superconductivity.     

新型交生结构自掺杂铁基超导体

铁基高温超导体的基本结构单元是反萤石型Fe₂X₂层（X为磷族或硫族元素）,因此,设计具有Fe₂X₂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.     

A few points on iron-based superconductors

We highlight a few points on iron-based superconductors in this paper. Experimental evidence for intrinsic inhomogeneity and phase separation in Fe-based superconductors is reviewed first. The non-BCS feature and other similarities between the Fe-based superconductors and the cuprates are also presented. The pressure effect on the FeSe-based superconductors observed recently is then discussed in terms of the interplay between superconducting transition temperature and structural characters. It is suggested that there is room for exploring new superconductors with higher transition temperature and that the improvement on the sample quality is necessary for further investigation on the superconducting mechanism.     

Plasmons in strong superconductors

We present a study of the possible plasmon excitations that can occur in systems where strong superconductivity is present. In these systems the plasmon energy is comparable to or smaller than the pairing gap. As a prototype of these systems we consider the proton component of Neutron Star matter just below the crust when electron screening is not taken into account. For the realistic case we consider in detail the different aspects of the elementary excitations when the proton, electron components are considered within the Random-Phase Approximation generalized to the superfluid case, while the influence of the neutron component is considered only at qualitative level. Electron screening plays a major role in modifying the proton spectrum and spectral function. At the same time the electron plasmon is strongly modified and damped by the indirect coupling with the superfluid proton component, even at moderately low values of the gap. The excitation spectrum shows the interplay of the different components and their relevance for each excitation modes. The results are relevant for neutrino physics and thermodynamical processes in neutron stars. If electron screening is neglected, the spectral properties of the proton component show some resemblance with the physical situation in high-T _c superconductors, and we briefly discuss similarities and differences in this connection. In a general prospect, the results of the study emphasize the role of Coulomb interaction in strong superconductors.