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We present a time-of-flight inelastic neutron scattering study of the iron-based superconductor Ba$_{0.75}$K$_{0.25}$Fe$_{2}$As$_{2}$, focusing on its spin dynamics. Our measurements reveal a periodic intensity modulation of magnetic signals along the out-of-plane direction, which deviates from the behavior typically expected for two-dimensional magnetic materials. Using an effective model derived from density functional theory calculations, we demonstrate that the observed out-of-plane modulated spin susceptibility originates from the intrinsic three-dimensionality of the electronic band structure. Our study reveals the limitations of the widely assumed two-dimensional nature of spin susceptibility in iron-based superconductors, highlighting the importance of incorporating three-dimensional aspects of the electronic band structure for accurate modeling of spin dynamics., Comment: 9 pages, 4 figures

We present a method to determine the model Hamiltonians to treat rare-earth multiplets in solids from the results of the quasiparticle self-consistent \textit{GW} (QSGW) method. We apply the method to trivalent Eu compounds EuCl$_3$, EuN, and Eu-doped GaN after examining free rare-earth ions. We solve the model Hamiltonian by the exact diagonalization. Our results justify applying the Dieke diagram to ions in solid, while its limitation is clarified. In particular, we show that the crystal fields cause sizable breaking of the Russell-Saunders coupling., Comment: 7 pages, 3 figures, 2 tables

The mobility and disorder in the lattice of Cu atoms as liquid-like behavior is an important characteristic affecting the thermoelectric properties of Cu$_{2}$S. In this study, using a theoretical model called acanthite-like structure for Cu$_{2}$S at a low-temperature range, we systematically investigate the electronic structure, intrinsic defect formation, and transport properties by first-principles calculations. Thereby, previous experimental reports on the indirect bandgap nature of Cu$_{2}$S were confirmed in this work with an energy gap of about 0.9-0.95 eV. As a result, the optical absorption coefficient estimated from this model also gives a potential value of $\alpha > 10^{4}$ cm$^{-1}$ in the visible spectrum range. According to the bonding analysis and formation energy aspect, Cu vacancy is the most preferred defect to form in Cu$_{2}$S, which primarily affects the conductive behavior as a $p$-type, as experimentally observed. Finally, the transport properties of Cu$_{2}$S system were successfully reproduced using an electron-phonon scattering method, highlighting the important role of relaxation time prediction in conductivity estimation instead of regarding it as a constant., Comment: 10 pages

Effective models are constructed for a newly discovered superconductor (Nd,Sr)NiO2, which has been considered as a possible nickelate analogue of the cuprates owing to the d9 electron configuration. Estimation of the effective interaction, which turns out to require a multiorbital model that takes account of all the orbitals involved on the Fermi surface, shows that the effective interactions are significantly larger than in the cuprates. A fluctuation exchange study for the model indicates that dx2-y2-wave superconductivity is likely to occur as in the cuprates, where the transition temperature in the nickelate can be lower from the cuprates due to the larger interaction and narrower bandwidth., Comment: Contains three figures in the main text. Version 1 and 2 are essentially the same, except that Fig. S3-S5 are newly added in the supplemental material

Low-energy incommensurate (IC) magnetic fluctuations in the multiband superconductor Sr$_2$RuO$_4$ is investigated by high-resolution inelastic neutron scattering measurements and random phase approximation (RPA) calculations. Below $T_\text{c}$, the substantial spin gap is observed at $\mathbf{Q}_\text{IC}=(0.3, 0.3, L)$ where the quasi-one-dimensional $\alpha$ and $\beta$ sheets consisting of the Fermi surfaces are in good nesting conditions. $L$ modulated intensity of the low-energy IC magnetic fluctuations and our RPA calculations indicate that the superconducting gaps regarding the $\alpha$ and $\beta$ sheets have the horizontal line nodes., Comment: 13 pages, 4 figures

On the basis of the microscopic quasi-classical Eilenberger theory, we analyze the recent angle-resolved specific heat experiment carried out at low temperature for Sr$_2$RuO$_{4}$ to identify the superconducting gap symmetry, comprising either horizontal or vertical line nodes relative to the tetragonal crystal symmetry. Several characteristics, in particular, the landscape of the in-plane oscillation amplitude $A_4(B, T)$ with a definite sign for almost the entire $B$-$T$ plane are best explained by the horizontal line node symmetry, especially when the multiband effect and Pauli paramagnetic effect are taken into account. The present analysis of $A_4(B,T)$ with definite sign points to the presence of an anomalous field region at a lower temperature in the experimental data, whose origin is investigated. Our theory demonstrates the application and uniqueness of the field-rotating thermodynamic measurements in uncovering the precise gap structure for target materials., Comment: 15 pages, 28 figures

We perform de Haas-van Alphen measurements and quasiparticle self-consistent \textit{GW} (QS\textit{GW}) calculations on FeS. The calculated Fermi surface (FS) consists of two hole and two electron cylinders. We observe all the eight predicted FS cross sections experimentally. With momentum-independent band-energy adjustments of less than 0.1 eV, the maximum deviation between the calculated and observed cross sections is less than 0.2\% of the Brillouin zone area for $B \parallel c$. The carrier density is $\sim$0.5 carriers/Fe. The mass enhancements are nearly uniform across the FS cylinders and moderate, $\sim$2. The absence of a third hole cylinder with $d_{xy}$ character is favorable for the formation of a nodal superconducting gap., Comment: 7 pages, 3 figures

The gap structure of Sr$_2$RuO$_4$, which is a longstanding candidate for a chiral p-wave superconductor, has been investigated from the perspective of the dependence of its specific heat on magnetic field angles at temperatures as low as 0.06 K ($\sim 0.04T_{\rm c}$). Except near $H_{\rm c2}$, its fourfold specific-heat oscillation under an in-plane rotating magnetic field is unlikely to change its sign down to the lowest temperature of 0.06 K. This feature is qualitatively different from nodal quasiparticle excitations of a quasi-two-dimensional superconductor possessing vertical lines of gap minima. The overall specific-heat behavior of Sr$_2$RuO$_4$ can be explained by Doppler-shifted quasiparticles around horizontal line nodes on the Fermi surface, whose in-plane Fermi velocity is highly anisotropic, along with the occurrence of the Pauli-paramagnetic effect. These findings, in particular, the presence of horizontal line nodes in the gap, call for a reconsideration of the order parameter of Sr$_2$RuO$_4$., Comment: 5 pages, 3 figures (main text) + 3 pages, 3 figures (supplemental material), accepted for publication in J. Phys. Soc. Jpn

We use inelastic neutron scattering (INS) to investigate the effect of electron correlations on spin dynamics in the iron-based superconductor Ba$_{0.75}$K$_{0.25}$Fe$_{2}$As$_{2}$. Our INS data show a spin-wave-like dispersive feature, with a zone boundary energy of 200 meV. A first principles analysis of dynamical spin susceptibility, incorporating the mass renormalization factor of 3, as determined by angle-resolved photoemission spectroscopy, provides a reasonable description of the observed spin excitations. This analysis shows that electron correlations in the Fe-3$d$ bands yield enhanced effective electron masses, and consequently, induce substantial narrowing of the spin excitation bandwidth. Our results highlight the importance of electron correlations in an itinerant description of the spin excitations in iron-based superconductors., Comment: Accepted for publication as a Rapid Communication in Physical Review B

Despite the fact that 1111-type iron arsenides hold the record transition temperature of iron-based superconductors, their electronic structures have not been studied much because of the lack of high-quality single crystals. In this study, we completely determine the Fermi surface in the antiferromagnetic state of CaFeAsF, a 1111 iron-arsenide parent compound, by performing quantum oscillation measurements and band-structure calculations. The determined Fermi surface consists of a symmetry-related pair of Dirac electron cylinders and a normal hole cylinder. From analyses of quantum-oscillation phases, we demonstrate that the electron cylinders carry a nontrivial Berry phase $\pi$. The carrier density is of the order of 10$^{-3}$ per Fe. This unusual metallic state with the extremely small carrier density is a consequence of the previously discussed topological feature of the band structure which prevents the antiferromagnetic gap from being a full gap. We also report a nearly linear-in-$B$ magnetoresistance and an anomalous resistivity increase above about 30 T for $B \parallel c$, the latter of which is likely related to the quantum limit of the electron orbit. Intriguingly, the electrical resistivity exhibits a nonmetallic temperature dependence in the paramagnetic tetragonal phase ($T >$ 118 K), which may suggest an incoherent state. Our study provides a detailed knowledge of the Fermi surface in the antiferromagnetic state of 1111 parent compounds and moreover opens up a new possibility to explore Dirac-fermion physics in those compounds., Comment: 11 pages, 7 figures, 1 table

Recent angle-resolved spectroscopy in BiS$_2$-based superconductors has indicated that the superconducting gap amplitude possesses remarkable anisotropy and/or a sign change on a small Fermi pocket around $X$ point. It implies a possibility of an unconventional pairing state. Here we study the gap anisotropy in superconductivity mediated by inherent charge/quadrupole fluctuations in an extended Hubbard model, which includes inter-site interaction between Bi and S atoms. The first-principles downfolded band structure is composed of Bi $6p_x/p_y$ and S $3p_x/p_y$ orbitals on a BiS$_2$ single layer. Evaluating the linearized gap equation, we find that the ferroic charge/quadrupole fluctuation driven by the inter-site interaction leads to a fully-gapped $d_{x^2-y^2}$-wave pairing state, in which the gap amplitude has sizable anisotropy on the Fermi surface., Comment: 6 pages, 5 figures

The magnetoresistance and magnetic torque of FeS are measured in magnetic fields $B$ of up to 18 T down to a temperature of 0.03 K. The superconducting transition temperature is found to be $T_c$ = 4.1 K, and the anisotropy ratio of the upper critical field $B_{c2}$ at $T_c$ is estimated from the initial slopes to be $\Gamma(T_c)$ = 6.9. $B_{c2}(0)$ is estimated to be 2.2 and 0.36 T for $B \parallel ab$ and $c$, respectively. Quantum oscillations are observed in both the resistance and torque. Two frequencies $F$ = 0.15 and 0.20 kT are resolved and assigned to a quasi-two-dimensional Fermi surface cylinder. The carrier density and Sommerfeld coefficient associated with this cylinder are estimated to be 5.8 $\times$ 10$^{-3}$ carriers/Fe and 0.48 mJ/(K$^2$mol), respectively. Other Fermi surface pockets still remain to be found. Band-structure calculations are performed and compared to the experimental results., Comment: 6 pages, 5 figures

One of the ultimate goals of the study of iron-based superconductors is to identify the common feature that produces the high critical temperature (Tc). In the early days, based on a weak-coupling viewpoint, the nesting between hole- and electron-like Fermi surfaces (FSs) leading to the so-called $s\pm$ state was considered to be one such key feature. However, this theory has faced a serious challenge ever since the discovery of alkali-metal-doped FeSe (AFS) superconductors, in which only electron-like FSs with a nodeless superconducting gap are observed. Several theories have been proposed, but a consistent understanding is yet to be achieved. Here we show experimentally that a hole-like band exists in KxFe2-ySe2, which presumably forms a hole-like Fermi surface. The present study suggests that AFS can be categorized in the same group as iron arsenides with both hole- and electron-like FSs present. This result provides a foundation for a comprehensive understanding of the superconductivity in iron-based superconductors., Comment: 15 pages, 4 figures, + supplemental material

Motivated by recent experiments on isovalent-doped 1111 iron-based superconductors LaFeAs$_{1-{x}}$P$_{x}$O$_{1-{y}}$F$_{y}$ and the theoretical study that followed, we investigate, within the five orbital model, the correlation between the spin fluctuation and the superconducting transition temperature, which exhibits a double dome feature upon varying the Fe-As-Fe bond angle. Around the first dome with higher $T_c$, the low energy spin fluctuation and $T_c$ are not tightly correlated because the finite energy spin fluctuation also contributes to superconductivity. On the other hand, the strength of the low-energy spin fluctuation originating from the $d_{xz/yz}$ orbital is correlated with $T_c$ in the second dome with lower $T_c$. These calculation results are consistent with recent NMR study, and hence strongly suggest that the pairing in the iron-based superconductors is predominantly caused by the multi-orbital spin fluctuation., Comment: 7 pages, 7 figures

Motivated by recent experimental investigations of the isovalent doping iron-based superconductors LaFe(AsxP1-x)O1-yFy and NdFe(AsxP1-x)O1-yFy we theoretically study the correlation between the local lattice structure, the Fermi surface, the spin fluctuation-mediated superconductivity, and the composition ratio. In the phosphides, the dXZ and dYZ orbitals barely hybridize around the Gamma point to give rise to two intersecting ellipse shape Fermi surfaces. As the arsenic content increases and the Fe-As-Fe bond angle is reduced, the hybridization increases, so that the two bands are mixed to result in concentric inner and outer Fermi surfaces, and the orbital character gradually changes to dxz and dyz, where x-y axes are rotated by 45 degrees from X-Y. This makes the orbital matching between the electron and hole Fermi surfaces better and enhances the spin fluctuation within the dxz/yz orbitals. On the other hand, the hybridization splits the two bands, resulting in a more dispersive inner band. Hence, there is a trade-off between the density of states and the orbital matching, thereby locally maximizing the dxz/yz spin fluctuation and superconductivity in the intermediate regime of As/P ratio. The consistency with the experiment strongly indicate the importance of the spin fluctuation played in this series of superconductors., Comment: 17 pages, 5 figures

By constructing $d_{x^2-y^2}-d_{z^2}$ two-orbital models from first principles, we have obtained a systematic correlation between the Fermi surface warping and the evaluated $T_c$ for various bilayer as well as single-layer cuprates. This reveals that smaller mixture of the $d_{z^2}$ orbital component on the Fermi surface leads to both of larger Fermi surface warping and higher $T_c$. The theoretical correlation strikingly resembles a systematic plot for the experimentally observed $T_c$ against the Fermi surface warping due to Pavarini {\it et al.} [Phys. Rev. Lett. {\bf 87}, 047003 (2001)], and the present result unambiguously indicates that the $d_{z^2}$ mixture is a key factor that determines $T_c$ in the cuprates., Comment: 7pages, 3 figures

We use core level and valence band soft x-ray photoemission spectroscopy (SXPES) to investigate electronic structure of new BiS$_{2}$ layered superconductor LaO$_{1-x}$F$_{x}$BiS$_{2}$. Core level spectra of doped samples show a new spectral feature at the lower binding energy side of the Bi 4${f}$ main peak, which may be explained by core-hole screening with metallic states near the Fermi level ($E_{\rm F}$). Experimental electronic structure and its ${x}$ dependence (higher binding energy shift of the valence band as well as appearance of new states near $E_{\rm F}$ having dominant Bi 6${p}$ character) were found to be consistent with the predictions of band structure calculations in general. Noticeable deviation of the spectral shape of the states near $E_{\rm F}$ from that of calculations might give insight into the interesting physical properties. These results provide first experimental electronic structure of the new BiS$_{2}$ layered superconductors., Comment: 14 pages, 4 figures

We present a theoretical understanding of the superconducting phase diagram of the electron-doped iron pnictides. We show that, besides the Fermi surface nesting, a peculiar motion of electrons, where the next nearest neighbor (diagonal) hoppings between iron sites dominate over the nearest neighbor ones, plays an important role in the enhancement of the spin fluctuation and thus superconductivity. In the highest $T_c$ materials, the crossover between the Fermi surface nesting and this "prioritized diagonal motion" regime occurs smoothly with doping, while in relatively low $T_c$ materials, the two regimes are separated and therefore results in a double dome $T_c$ phase diagram., Comment: 9 pages, 11 figures

We investigate the doping dependence of the magnetic excitations in two-superconducting-dome-system LaFeAsO1-xDx. Using inelastic neutron scattering, spin fluctuations at different wavenumbers were observed under both superconducting domes around x = 0.1 and 0.4, but vanished at x = 0.2 corresponding to the Tc valley. Theoretical calculations indicate that the characteristic doping dependence of spin fluctuations is rationally explained as a consequence of the switching of the two intra-orbital nestings within Fe-3dYZ, ZX and 3dX2-Y2 by electron doping. The present results imply that the multi-orbital nature plays an important role in the doping and / or material dependence of the Tc of the iron pnictide superconductors., Comment: 5 pages, 4 figures, Accepted to Phys. Rev. B (Rapid Commun.)

Recently, a very rich phase diagram has been obtained for an iron-based superconductor Ca4Al2O6Fe2(As1-xPx)2. It has been revealed that nodeless (x=0) and nodal (x = 1) superconductivity are separated by an antiferromagnetic phase. Here we study the origin of this peculiar phase diagram using a five orbital model constructed from first principles band calculation, and applying the fluctuation exchange approximation assuming spin fluctuation mediated pairing. Based on the calculation results, we propose a scenario where the frustration in momentum space degrades superconductivity in the intermediate x regime, while antiferromangetism takes place due to a very good nesting. In order to see whether the present theoretical scenario is consistent with the actual nature of the competition between superconductivity and antiferromagnetism, we also perform hydrostatic pressure experiment for Ca4Al2O6Fe2(As1-xPx)2. In the intermediate x regime where antiferromagnetism occurs at ambient pressure, applying hydrostatic pressure smears out the antiferromagnetic transition, but superconductivity does not take place. This supports our scenario that superconductivity is suppressed by the momentum space frustration in the intermediate x regime, apart from the presence of the antiferromangnetism., Comment: 9 pages, 11 figures

We theoretically study the spin fluctuation and superconductivity in La1111 and Sm1111 iron-based superconductors for a wide range of electron doping. When we take into account the band structure variation by electron doping, the hole Fermi surface originating from the $d_{X^2-Y^2}$ orbital turns out to be robust against electron doping, and this gives rise to large spin fluctuations and consequently $s\pm$ pairing even in the heavily doped regime. The stable hole Fermi surface is larger for Sm1111 than for La1111, which can be considered as the origin of the apparent difference in the phase diagram., Comment: 4 pages, 4 figures

We perform first principles band calculation of the newly discovered superconductor LaO$_{1-x}$F$_x$BiS$_2$, and study the lattice structure and the fluorine doping dependence of the gap between the valence and conduction bands. We find that the distance between La and S as well as the fluorine doping significantly affects the band gap. On the other hand, the four orbital model of the BiS$_2$ layer shows that the lattice structure does not affect this portion of the band. Still, the band gap can affect the carrier concentration in the case of light electron doping, which in turn should affect the transport properties., Comment: submitted as Proc. ISS2012, 4 pages, 4 figures

High-temperature cuprate superconductors have been known to exhibit significant pressure effects. In order to fathom the origin of why and how Tc is affected by pressure, we have recently studied the pressure effects on Tc adoptig a model that contains two cupper d-orbitals derived from first-principles band calculations, where the dz2 orbital is considere on top of the usually considered dx2-y2 orbital. In that paper, we have identified two origins for the Tc enhancement under hydrostatic pressure: (i) while at ambient pressure the smaller the hybridization of other orbital components the higher the Tc, an application of pressure acts to reduce the multiorbital mxing on the Fermi surface, which we call the orbital distillation effects, and (ii) the increase of the band width with pressure also contributes to the enhancement. In the present paper, we further elabolrate the two points. As for point (i), while the reduction of the apical oxygen height under pressure tends to increase the dz2 mixture, hence to lower Tc, here we show that this effect is strongly reduced in bi-layer materials due to the pyramidal coordination of oxygen atoms. As for point (ii), we show that the enhancement of Tc due to the increase in the band width is caused by the effect that the many-body renormalization arising from the self-energy is reduced., Comment: 6 equations, 6 figures

We construct minimal electronic models for a newly discovered superconductor LaO$_{1-x}$F$_x$BiS$_2$ ($T_c=$ 10.6K) possessing BiS$_2$ layers based on first principles band calculation. First, we obtain a model consisting of two Bi $6p$ and two S $3p$ orbitals, which give nearly electron-hole symmetric bands. Further focusing on the bands that intersect the Fermi level, we obtain a model with two $p$ orbitals. The two bands (per BiS$_2$ layer) have quasi-one-dimensional character with a double minimum dispersion, which gives good nesting of the Fermi surface. At around $x\sim 0.5$ the topology of the Fermi surface changes, so that the density of states at the Fermi level becomes large. Possible pairing states are discussed., Comment: 5 pages, 6 figures

Exotic superconductivity has often been discovered in materials with a layered (two-dimensional) crystal structure. The low dimensionality can affect the electronic structure and can realize high transition temperatures (Tc) and/or unconventional superconductivity mechanisms. As standard examples, we now have two types of high-Tc superconductors. The first group is the Cu-oxide superconductors whose crystal structure is basically composed of a stacking of spacer (blocking) layers and superconducting CuO2 layers.1-4 The second group is the Fe-based superconductors which also possess a stacking structure of spacer layers and superconducting Fe2An2 (An = P, As, Se, Te) layers.5-13 In both systems, dramatic enhancements of Tc are achieved by optimizing the spacer layer structure, for instance, a variety of composing elements, spacer thickness, and carrier doping levels with respect to the superconducting layers. In this respect, to realize higher-Tc superconductivity, other than Cu-oxide and Fe-based superconductors, the discovery of a new prototype of layered superconductors needs to be achieved. Here we show superconductivity in a new bismuth-oxysulfide layered compound Bi4O4S3. Crystal structure analysis indicates that this superconductor has a layered structure composed of stacking of Bi4O4(SO4)1-x and Bi2S4 layers; the parent compound (x = 0) is Bi6O8S5. Band calculation suggests that Bi4O4S3 (x = 0.5) is metallic while Bi6O8S5 (x = 0) is a band insulator with Bi3+. Furthermore, the Fermi level for Bi4O4S3 is just on the peak position of the partial density of states of the Bi 6p orbital within the BiS2 layer. The BiS2 layer is a basic structure which provides another universality class for layered superconducting family, and this opens up a new field in the physics and chemistry of low-dimensional superconductors., Comment: 13 pages, 3 figures, 1 table

In the present paper, we describe how the band structure and the Fermi surface of the iron-based superconductors vary as the Fe-As-Fe bond angle changes. We discuss how these Fermi surface configurations affect the superconductivity mediated by spin fluctuations, and show that in several situations, frustration in the sign of the gap function arises due to the repulsive pairing interactions that requires sign change of the order parameter. Such a frustration can result in nodes or very small gaps, and generally works destructively against superconductivity. Conversely, we propose that the optimal condition for superconductivity is realized for the Fermi surface configuration that gives the least frustration while maximizing the Fermi surface multiplicity. This is realized when there are three hole Fermi surfaces, where two of them have $d_{XZ/YZ}$ orbital character and one has $d_{X^2-Y^2}$ {\it for all $k_z$} in the three dimensional Brillouin zone. Looking at the band structures of various iron-based superconductors, the occurrence of such a "sweet spot" situation is limited to a narrow window., Comment: 9 figures, submitted to focus issue, SUST

The origin of uniaxial and hydrostatic pressure effects on $T_c$ in the single-layered cuprate superconductors is theoretically explored. A two-orbital model, derived from first principles and analyzed with the fluctuation exchange approximation gives axial-dependent pressure coefficients, $\partial T_c/\partial P_a>0$, $\partial T_c/\partial P_c<0$, with a hydrostatic response $\partial T_c/\partial P>0$ for both La214 and Hg1201 cuprates, in qualitative agreement with experiments. Physically, this is shown to come from a unified picture in which higher $T_c$ is achieved with an "orbital distillation", namely, the less the $d_{x^2-y^2}$ main band is hybridized with the $d_{z^2}$ and $4s$ orbitals higher the $T_c$. Some implications for obtaining higher $T_c$ materials are discussed., Comment: 6pages, 4 figures

We study the relation between the spin fluctuation and superconductivity in an heavily hole doped end material KFe$_2$As$_2$. We construct a five orbital model by approximately unfolding the Brillouin zone of the three dimensional ten orbital model obtained from first principles calculation. By applying the random phase approximation, we obtain the spin susceptibility and solve the linearized Eliashberg equation. The incommensurate spin fluctuation observed experimentally is understood as originating from interband interactions, where the multiorbital nature of the band structure results in an electron-hole asymmetry of the incommensurability in the whole iron-based superconductor family. As for superconductivity, s-wave and d-wave pairings are found to be in close competition, where the sign change in the gap function in the former is driven by the incommensurate spin fluctuations. We raise several possible explanations for the nodes in the superconducting gap of KFe$_2$As$_2$ observed experimentally., Comment: 9 pages, 7 figures

We examine theoretically the superconducting state of BaFe$_2$(As$_{1-x}$P$_x$)$_2$, an isovalent doping 122 iron pnictide superconductor. We construct a three dimensional ten orbital model from first principles band calculation, and investigate the superconducting gap within the spin fluctuation mediated pairing mechanism. The gap is basically $s\pm$, where the gap changes its sign between electron and hole Fermi surfaces, but three dimensional nodal structures appear in the largely warped hole Fermi surface having strong $Z^2/XZ/YZ$ orbital character. The present result, together with our previous study on 1111 systems, explains the strong material dependence of the superconducting gap in the iron pnictides., Comment: 4 pages,4 figures