No Arabic abstract
$^{75}$As and $^{45}$Sc NMR measurements unravel the electronic state for Fe-based superconductors with perovskite-type blocking layers Ca$_4$(Mg,Ti)$_3$Fe$_2$As$_2$O$_{8-y}$ ($T_c^{onset}=47$ K) and Ca$_5$(Sc,Ti)$_4$Fe$_2$As$_2$O$_{11-y}$ ($T_c^{onset}=41$ K). In Ca$_5$(Sc,Ti)$_4$Fe$_2$As$_2$O$_{11-y}$, the nuclear spin relaxation rate $1/T_1$ shows pseudogap behavior below $sim80$ K, suggesting that the electronic state is similar to that of LaFeAs(O,F) system with moderate electron doping. The presence of the pseudogap behavior gives an interpretation that the hole-like band (so-called $gamma$ pocket) is located just below the Fermi level from the analogy to LaFeAs(O,F) system and the disappearance of the $gamma$ pocket yields the suppression of the low-energy spin fluctuations. On the other hand, in Ca$_4$(Mg,Ti)$_3$Fe$_2$As$_2$O$_{8-y}$ satisfying the structural optimal condition for higher $T_c$ among the perovskite systems, the extrinsic contribution, which presumably originates in the Ti moment, is observed in $1/T_1T$; however, the moderate temperature dependence of $1/T_1T$ appears by its suppression under high magnetic field. In both systems, the high $T_c$ of $sim40$ K is realized in the absence of the strong development of the low-energy spin fluctuations. The present results reveal that the structural optimization does not induce the strong development of the low-energy spin fluctuations. If we consider that superconductivity is mediated by spin fluctuations, the structural optimization is conjectured to provide a benefit to the development of the high-energy spin fluctuations irrespective to the low-energy part.
A new layered iron arsenide oxide (Fe2As2)(Ca5(Mg,Ti)4Oy) and its structural derivative were found in the Fe-As-Ca-Mg-Ti-O system. The crystal structure of (Fe2As2)(Ca5(Mg,Ti)4Oy) is identical to that of (Fe2As2)(Ca5(Sc,Ti)4Oy), which was reported in our previous study. The lattice constants of this compound are a = 3.86(4) A and c = 41.05(2) A. In addition, another phase with a thicker blocking layer was found. The structure of the compound and its derivative was tentatively assigned through STEM observation as (Fe2As2)(Ca8(Mg,Ti)6Oy) with sextuple perovskite-type sheets divided by a rock salt layer. The interlayer Fe-Fe distance of this compound is ~30 A. The compound and its derivative exhibited bulk superconductivity, as found from magnetization and resistivity measurements.
Combining crystal structure search and first-principles calculations, we report a series of two-dimensional (2D) metal borides including orthorhombic (ort-) MB6 (M=Mg, Ca) and hexagonal (hex-) MB6 (M=Mg, Ca, Sc, Ti, Sr, Y). Then, we investigate their geometrical structures, bonding properties, electronic structures, mechanical properties, phonon dispersions, thermal stability, dynamic stability, electron-phonon coupling (EPC), superconducting properties and so on. Our ab initio molecular dynamics simulation results show that these MB6 can maintain their original configurations up to 700/1000 K, indicating their excellent thermal stability. All their elastic constants satisfy the Born mechanically stable criteria and no visible imaginary frequencies are observed in their phonon dispersions. The EPC results show that these 2D MB6 are all intrinsic phonon-mediated superconductors with the superconducting transition temperature (Tc??) in the range of 2.2-21.3 K. Among them, the highest Tc (21.3 K) appears in hex-CaB6, whose EPC constant () is 0.94. By applying tensile/compressive strains on ort-/hex-CaB6, we find that the compressive strain can obviously soften the acoustic phonon branch and enhance the EPC as well as Tc. The Tc of the hex-CaB6 can be increased from 21.3 K to 28 K under compressive strain of 3%. These findings enrich the database of 2D superconductors and should stimulate experimental synthesizing and characterizing of 2D superconducting metal borides.
A new layered iron arsenide oxide (Fe2As2)(Ca4(Mg,Ti)3Oy) was discovered. Its crystal structure is tetragonal with a space group of I4/mmm consisted of the anti-fluorite type FeAs layer and blocking layer of triple perovskite cells and is identical with (Fe2As2)(Sr4(Sc,Ti)3O8) discovered in our previous study. The lattice constants of (Fe2As2)(Ca4(Mg,Ti)3Oy) are a = 3.877 A and c = 33.37 A. This compound exhibited bulk superconductivity up to 43 K in susceptibility measurement without intentional carrier doping. A resistivity drop was observed at ~47 K and zero resistance was achieved at 42 K. These values correspond to the second highest Tc among the layered iron-based superconductors after REFeAsO system.
We report 75As-NQR/NMR studies on the oxygen-deficient iron(Fe)-based oxypnictide superconductors LaFeAsO_{0.6} (T_c=28 K) along with the results on LaFeAsO, LaFeAsO_{0.75}(T_c=20 K) and NdFeAsO_{0.6}(T_c=53 K). Nuclear spin-lattice relaxation rate 1/T_1 of 75As NQR at zero field on LaFeAsO_{0.6} has revealed a T^3 dependence below T_c upon cooling without the coherence peak just below T_c, evidencing the unconventional superconducting state with the line-node gap. We have found an intimate relationship between the nuclear quadrupole frequencyof 75As and T_c for four samples used in this study. It implies microscopically that the local configuration of Fe and As atoms is significantly related to the T_c of the Fe-oxypnictide superconductors, namely, the T_c can be enhanced up to 50 K when the local configuration of Fe and As atoms is optimal, in which the band structure may be also optimized through the variation of hybridization between As 4p orbitals and Fe 3d orbitals.
We report systematic 57Fe-NMR and 75As-NMR/NQR studies on an underdoped sample (T_c=20 K), an optimally doped sample (T_c=28 K), and an overdoped sample (T_c=22 K) of oxygen-deficient iron (Fe)-based oxypnictide superconductor LaFeAsO_{1-y}$. A microscopic phase separation between superconducting domains and magnetic domains is shown to take place in the underdoped sample, indicating a local inhomogeneity in association with the density distribution of oxygen deficiencies. As a result, 1/T_1T in the normal state of the superconducting domain decreases significantly upon cooling at both the Fe and As sites regardless of the electron-doping level in LaFeAsO_{1-y}. On the basis of this result, we claim that $1/T_1T$ is not always enhanced by antiferromagnetic fluctuations close to an antiferromagnetic phase in the underdoped superconducting sample. This contrasts with the behavior in hole-doped Ba_{0.6}K_{0.4}Fe2As2(T_c= 38 K), which exhibits a significant increase in $1/T_1T$ upon cooling. We remark that the crucial difference between the normal-state properties of LaFeAsO_{1-y} and Ba_{0.6}K_{0.4}Fe2As2 originates from the fact that the relevant Fermi surface topologies are differently modified depending on whether electrons or holes are doped into the FeAs layers.