A series of 122 phase BaFe$_{2-x}$Ni$_x$As$_2$ ($x$ = 0, 0.055, 0.096, 0.18, 0.23) single crystals were grown by self flux method and a dome-like Ni doping dependence of superconducting transition temperature is discovered. The transition temperature $T_c^{on}$ reaches a maximum of 20.5 K at $x$ = 0.096, and it drops to below 4 K as $x$ $\geq$ 0.23. The negative thermopower in the normal state indicates that electron-like charge carrier indeed dominates in this system. This Ni-doped system provides another example of superconductivity induced by electron doping in the 122 phase.
We carried out a comparative study of the in-plane resistivity and optical spectrum of doped BaFe2As2 and investigated the doping evolution of the charge dynamics. For BaFe2As2, charge dynamics is incoherent at high temperatures. Electron (Co) and isovalent (P) doping into BaFe2As2 increase coherence of the system and transform the incoherent charge dynamics into highly coherent one. On the other hand, charge dynamics remains incoherent for hole (K) doping. It is found in common with any type of doping that superconductivity with high transition temperature emerges when the normal-state charge…
We use transport and magnetization measurements to study the effect of Cr-doping to the phase diagram of the electron-doped superconducting BaFe2-xNixAs2 iron pnictides. In principle, adding Cr to electron-doped BaFe2-xNixAs2 should be equivalent to the effect of hole-doping. However, we find that Cr doping suppresses superconductivity via impurity effect, while not affecting the normal state resistivity above 100 K. We establish the phase diagram of Cr-doped BaFe2-x-yNixCryAs2 iron pnictides, and demonstrate that Cr-doping near optimal superconductivity restore the long-range antiferromagneti…
Here we report bulk superconductivity in BaFe1.8Co0.2As2 single crystals below Tc = 22 K, as demonstrated by resistivity, magnetic susceptibility, and specific heat data. Hall data indicate that the dominant carriers are electrons, as expected from simple chemical reasoning. This is the first example of superconductivity induced by electron doping in this family of materials. In contrast to the cuprates, the BaFe2As2 system appears to tolerate considerable disorder in the FeAs planes. First principles calculations for BaFe1.8Co0.2As2 indicate the inter-band scattering due to Co is weak.
Superconductivity in the iron pnictides develops near antiferromagnetism, and the antiferromagnetic (AF) phase appears to overlap with the superconducting phase in some materials such as BaFe2-xTxAs2 (where T = Co or Ni). Here we use neutron scattering to demonstrate that genuine long-range AF order and superconductivity do not coexist in BaFe2-xNixAs2 near optimal superconductivity. In addition, we find a first-order-like AF to superconductivity phase transition with no evidence for a magnetic quantum critical point. Instead, the data reveal that incommensurate short-range AF order coexists a…
The superconductivity in high temperature superconductors ordinarily arises when doped with hetero-valent ions that introduce charge carriers. However, in ferropnictides, "iso-valent" doping, which is generally believed not to introduce charge carriers, can induce superconductivity as well. Moreover, unlike other ferropnictides, the superconducting gap in BaFe2(As1-xPx)2 has been found to contain nodal lines. The exact nature of the "iso-valent" doping and nodal gap here are key open issues in building a comprehensive picture of the iron-based high temperature superconductors. With angle-resol…
By substituting Fe with the 5d-transition metal Pt in BaFe2As2, we have successfully synthesized the superconductors BaFe2-xPtxAs2. The systematic evolution of the lattice constants indicates that the Fe ions were successfully replaced by Pt ions. By increasing the doping content of Pt, the antiferromagnetic order and structural transition of the parent phase is suppressed and superconductivity emerges at a doping level of about x = 0.02. At a doping level of x = 0.1, we get a maximum transition temperature Tc of about 25 K. The synchrotron powder x-ray diffraction shows that the resistivity a…
We calculate the effect of local magnetic moments on the electron-phonon coupling in BaFe$_{2}$As$_{2}+δ$ using the density functional perturbation theory. We show that the magnetism enhances the total electron-phonon coupling by $\sim 50%$, up to $λ\lesssim 0.35$, still not enough to explain the high critical temperature, but strong enough to have a non-negligible effect on superconductivity, for instance, by frustrating the coupling with spin fluctuations and inducing order parameter nodes. The enhancement comes mostly from a renormalization of the electron-phonon matrix elements. We also in…
We report superconductivity in single crystals of the new iron-pnictide system BaFe1.9Pt0.1As2 grown by a self-flux solution method and characterized via x-ray, transport, magnetic and thermodynamic measurements. The magnetic ordering associated with a structural transition at 140 K present in BaFe2As2 is completely suppressed by substitution of 5% Fe with Pt and superconductivity is induced at a critical temperature Tc=23 K. Full diamagnetic screening in the magnetic susceptibility and a jump in the specific heat at Tc confirm the bulk nature of the superconducting phase. All properties of th…
We report elastic neutron scattering and transport measurements on the Ni and Cr equivalently doped iron pnictide BaFe$_{2-2x}$Ni$_{x}$Cr$_{x}$As$_{2}$. Compared with the electron-doped BaFe$_{2-x}$Ni$_{x}$As$_{2}$, the long-range antiferromagnetic (AF) order in BaFe$_{2-2x}$Ni$_{x}$Cr$_{x}$As$_{2}$ is gradually suppressed with vanishing ordered moment and Néel temperature near $x= 0.20$ without the appearance of superconductivity. A detailed analysis on the transport properties of BaFe$_{2-x}$Ni$_{x}$As and BaFe$_{2-2x}$Ni$_{x}$Cr$_{x}$As$_{2}$ suggests that the non-Fermi-liquid behavior asso…
We report $^{75}$As NMR measurements in BaFe$_2$As$_2$ doped with Ni. Like Co, Ni doping suppresses the antiferromagnetic and structural phase transitions and gives rise to superconductivity for sufficiently large Ni doping. The spin lattice relaxation rate diverges at $T_N$, with a critical exponent consistent with 3D ordering of local moments. In the ordered state the spectra quickly broaden inhomogeneously with doping. We extract the average size of the ordered moment as a function of doping, and show that a model in which the order remains commensurate but with local amplitude variations i…
Spin dynamics evolution of BaFe$_2$(As$_{1-x}$P$_x$)$_2$ was probed as a function of P concentration via $^{31}$P NMR. Our NMR study reveals that two-dimensional antiferromagnetic (AF) fluctuations are notably enhanced with little change in static susceptibility on approaching the AF phase from the superconducting dome. Moreover, magnetically ordered temperature $θ$ deduced from the relaxation rate vanishes at optimal doping. These results provide clear-cut evidence for a quantum-critical point (QCP), suggesting that the AF fluctuations associated with the QCP play a central role in the high-$…
The occurrence of bulk superconductivity at ~22 K is reported in polycrystalline samples of BaFe2-xRuxAs2 for nominal Ru content in the range of x=0.75 to 1.125. A systematic suppression of the spin density wave transition temperature (TSDW) precedes the appearance of superconductivity in the system. A phase diagram is proposed based on the measured TSDW and superconducting transition temperature (TC) variations as a function of Ru composition. Band structure calculations, indicate introduction of electron carriers in the system upon Ru substitutiom. The calculated magnetic moment on Fe shows …
We present the ultra-low-temperature heat transport study of iron-based superconductors Ba(Fe$_{1-x}$Ru$_x$)$_2$As$_2$ and BaFe$_2$(As$_{1-x}$P$_x$)$_2$. For optimally doped Ba(Fe$_{0.64}$Ru$_{0.36}$)$_2$As$_2$, a large residual linear term $κ_0/T$ at zero field and a $\sqrt{H}$ dependence of $κ_0(H)/T$ are observed, which provide strong evidences for nodes in the superconducting gap. This result demonstrates that the isovalent Ru doping can also induce nodal superconductivity, as P does in BaFe$_2$(As$_{0.67}$P$_{0.33}$)$_2$. Furthermore, in underdoped Ba(Fe$_{0.77}$Ru$_{0.23}$)$_2$As$_2$ and…
We report bulk superconductivity induced by an isovalent doping of phosphorus in BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$. The P-for-As substitution results in shrinkage of lattice, especially for the FeAs block layers. The resistivity anomaly associated with the spin-density-wave (SDW) transition in the undoped compound is gradually suppressed by the P doping. Superconductivity with the maximum $T_c$ of 30 K emerges at $x$=0.32, coinciding with a magnetic quantum critical point (QCP) which is evidenced by the disappearance of SDW order and the linear temperature-dependent resistivity in the normal…
We use inelastic neutron scattering to systematically investigate the Ni-doping evolution of the low-energy spin excitations in BaFe2-xNixAs2 spanning from underdoped antiferromagnet to overdoped superconductor (0.03< x < 0.18). In the undoped state, the low-energy (<80 meV) spin waves of BaFe2As2 form transversely elongated ellipses in the [H, K] plane of the reciprocal space. Upon Ni-doping, the c-axis magnetic exchange coupling is rapidly suppressed and the momentum distribution of spin excitations in the [H, K] plane is enlarged in both the transverse and longitudinal directions with respe…
75As NMR experiments were performed in Ba(Fe1-xRux)2As2 for x=0 to 80%. Magnetic fractions and NMR lineshapes demonstrate that Ru substitution destroys the antiferromagnetic (AF) order inhomogeneously with a magnetic moment distributed from 0.9 to 0 uB. Superconductivity emerges at intermediate Ru doping and coexists with AF order only in the regions where moments are smaller than ~0.3uB, resulting in an original nanoscale texture. This situation contrasts with that of Co substitution, challenging the apparent universality of the phase diagram in Fe-based superconductors.
We use nuclear magnetic resonance (NMR), high-resolution x-ray and neutron scattering to study structural and magnetic phase transitions in phosphorus-doped BaFe$_2$(As$_{1-x}$P$_x$)$_2$. Previous transport, NMR, specific heat, and magnetic penetration depth measurements have provided compelling evidence for the presence of a quantum critical point (QCP) near optimal superconductivity at $x=0.3$. However, we show that the tetragonal-to-orthorhombic structural ($T_s$) and paramagnetic to antiferromagnetic (AF, $T_N$) transitions in BaFe$_2$(As$_{1-x}$P$_x$)$_2$ are always coupled and approach t…
The coexistence of magnetism and superconductivity in the isovalent-P-substituted BaFe$_2$(As$_{1-x}$P$_x$)$_2$ has been investigated microscopically by $^{31}$P-NMR measurements. We found that superconducting (SC) transition occurs in a magnetic region with static ordered moments and that the moments are reduced below the SC transition temperature $T_{\rm c}$ in the samples near the phase boundary of magnetism and superconductivity. Our results indicate that magnetism and superconductivity coexist spatially but compete with each other on the same Fermi surfaces. The coexistence state is quali…
The crystal structure and physical properties of BaFe2As2, BaCo2As2, and BaNi2As2 single crystals are surveyed. BaFe2As2 gives a magnetic and structural transition at TN = 132(1) K, BaCo2As2 is a paramagnetic metal, while BaNi2As2 has a structural phase transition at T0 = 131 K, followed by superconductivity below Tc = 0.69 K. The bulk superconductivity in Co-doped BaFe2As2 below Tc = 22 K is demonstrated by resistivity, magnetic susceptibility, and specific heat data. In contrast to the cuprates, the Fe-based system appears to tolerate considerable disorder in the transition metal layers. Fir…
We investigate the physical properties and electronic structure upon Cr-doping in the iron arsenide layers of BaFe2As2. This form of hole-doping leads to suppression of the magnetic/structural phase transition in BaFe2-xCrxAs2 for x > 0, but does not lead to superconductivity. For various x values, temperature dependence of the resistivity, specific heat, magnetic susceptibility, Hall coefficient, and single crystal x-ray diffraction data are presented. The materials show signatures of approaching a ferromagnetic state with x, including a metamagnetic transition for x as little as 0.36, an enh…
We have performed electrical resistivity measurements on single crystal BaFe2As2 under high pressure P up to 16 GPa with a cubic anvil apparatus, and up to 3 GPa with a modified Bridgman anvil cell. The samples were obtained from the same batch, which was grown with a self-flux method. A cubic anvil apparatus provides highly hydrostatic pressure, and a modified Bridgman anvil cell, which contains liquid pressure transmitting medium, provides quasi hydrostatic pressure. For highly hydrostatic pressure, the crystal phase and magnetic transition temperature decreases robustly with P and disappear…
The upper critical field ($H_{c2}$) in superconducting BaFe$_{2-x}$Ni$_{x}$As$_2$ single crystals has been determined by magnetotransport measurements down to 0.6 K over the whole superconducting dome with $0.065 \leqslant x \leqslant 0.22$, both for the inter-plane ($H \parallel c$, $H_{c2}^{c}$) and in-plane ($H \parallel ab$, $H_{c2}^{ab}$) field directions in static magnetic fields up to 16 T and pulsed magnetic fields up to 60 T. The temperature dependence of $H_{c2}^{ab}$ follows the Werthamer-Helfand-Hohenberg (WHH) model incorporating orbital and spin paramagnetic effects, while $H_{c2…
To identify the key parameter for optimal superconductivity in iron pnictides, we measured the $^{31}$P-NMR relaxation rate on BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ ($x = 0.22$ and 0.28) under pressure and compared the effects of chemical substitution and physical pressure. For $x = 0.22$, structural and antiferromagnetic (AFM) transition temperatures both show minimal changes with pressure up to 2.4~GPa, whereas the superconducting transition temperature $T_{\rm c}$ increases to twice its former value. In contrast, for $x=0.28$ near the AFM quantum critical point (QCP), the structural phase tra…
Within the BaFe2As2 crystal lattice, we partially substitute thallium for barium and report the effects of interlayer coupling in Ba1-xTlxFe2As2 crystals. We demonstrate the unusual effects of magneto-elastic coupling and charge doping in this iron-arsenide material, whereby Neel temperature rises with small x, and then falls with additional x. Specifically, we find that Neel and structural transitions in BaFe2As2 (TN =Ts= 133 K) increase for x=0.05 (TN = 138 K, Ts = 140 K) from magnetization, heat capacity, resistivity, and neutron diffraction measurements. Evidence from single crystal X-ray …
We studied the relationship between the charge doping and the correlation, and its effects on the spectral function of the BaFe$_2$As$_2$ compound in the framework of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). The calculated mass enhancements showed that the electronic correlation varies systematically from weak to strong when moving from the heavily electron-doped regime to the heavily hole-doped one. Since the compound has a multi-orbital nature, the correlation is orbital-dependent and it increases as hole-doping increases. The Fe-3d$_{xy}$ (xy) …
The iron-based superconductors had a significant impact on condensed matter physics. They have a common structural motif of a two-dimensional square iron lattice and exhibit fruitful physical properties as a strongly correlated electron system. During the extensive investigations, quasi-one-dimensional iron-based spin-ladder compounds attracted much attention as a platform for studying the interplay between magnetic and orbital ordering. In these compounds, BaFe2S3 and BaFe2Se3 were found to exhibit superconductivity under high pressure, having a different crystal and magnetic structure at low…
We present superconducting properties of single crystalline Ba(Fe$_{0.9}$Co$_{0.1}$)$_{2}$As$_{2}$ by measuring magnetization, resistivity, upper critical field, Hall coefficient, and magneto-optical images. The magnetization measurements reveal fish-tail hysteresis loop at high temperatures and relatively high critical current density above $J_{c}=10^{5}$ A/cm$^{2}$ at low temperatures. Upper critical field determined by resistive transition is anisotropic with anisotropic parameter $\sim$ 3.5. Hall effect measurements indicate that Ba(Fe$_{0.9}$Co$_{0.1}$)$_{2}$As$_{2}$ is a multiband system…
We report density functional calculations of the electronic structure and Fermi surface of the BaFe$_2$As$_2$ and LiFeAs phases including doping via the virtual crystal approximation. The results show that contrary to a rigid band picture, the density of states at the Fermi energy is only weakly doping dependent and that the main effect of doping is a change in the relative sizes of the electron and hole Fermi surfaces as required by Luttinger's theory. This is a consequence of a change in As height with doping, in particular a shift of As towards Fe as holes are introduced in the Fe plane, as…
In order to unravel a role of doping in the iron-based superconductors, we investigated the in-plane resistivity for BaFe$_2$As$_2$ doped at either of the three different lattice sites, Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$, BaFe$_2$(As$_{1-x}$P$_x$)$_2$, and Ba$_{1-x}$K$_x$Fe$_2$As$_2$, focusing on the doping effect in the low-temperature antiferromagnetic/orthorhombic (AFO) phase. A major role of doping in the high-temperature paramagnetic/tetragonal (PT) phase is known to change the Fermi surface by supplying charge carriers or by exerting chemical pressure. In the AFO phase, we found a clear corr…
We report an investigation of the structural, magnetic and electronic properties of Ba(Fe(1-x)V(x))2As2 using x-ray, transport, magnetic susceptibility and neutron scattering measurements. The vanadium substitutions in Fe sites are possible up to 40\%. Hall effect measurements indicate strong hole-doping effect through V doping, while no superconductivity is observed in all samples down to 2K. The antiferromagnetic and structural transition temperature of BaFe2As2 is gradually suppressed to finite temperature then vanishes at x=0.245 with the emergence of spin glass behavior, suggesting an avo…
We study systematically transport, susceptibility and heat capacity for BaFe$_{2-x}$Co$_x$As$_2$ single crystals. In the underdoped region, spin density wave (SDW) transition is observed in both resistivity and susceptibility. The magnetic susceptibility shows unusual T-linear dependence above SDW transition up to 700 K. With Co doping, SDW ordering is gradually suppressed and superconductivity emerges with a dome-like shape. Electrical transport, specific heat and magnetic susceptibility indicate that SDW and superconductivity coexist in the sample BaFe$_{2-x}$Co$_x$As$_2$ around x = 0.17, be…
We use elastic and inelastic neutron scattering to systematically investigate the evolution of the low-energy spin excitations of the iron arsenide superconductor BaFe2-xNixAs2 as a function of nickel doping x. In the undoped state, BaFe2As2 exhibits a tetragonal-to-orthorhombic structural phase transition and simultaneously develops a collinear antiferromagnetic (AF) order below TN = 143 K. Upon electron-doping of x = 0.075 to induce bulk superconductivity with Tc = 12.3 K, the AF ordering temperature reduces to TN = 58 K.We show that the appearance of bulk superconductivity in BaFe1.925Ni0.0…
The isovalently doped high-$T_{\text{c}}$ superconductor BaFe$_2$(As$_{1-x}$P$_x$)$_2$ is characterized by a rich temperature-doping phase diagram, which includes structural, antiferromagnetic, and superconducting phase transitions. In this work, we use photomodulated reflectance at 1.5 eV to detect the onset of linear birefringence in the normal state, and by inference, the breaking of four-fold rotational (C$_4$) symmetry. We find that C$_4$ breaking takes place in the normal state over a range of $x$ that spans the optimal P concentration, unlike the line of orthorhombic-tetragonal and magn…
We use neutron scattering to study magnetic order and spin excitations in BaFe$_{1.96}$Ni$_{0.04}$As$_{2}$. On cooling, the system first changes the lattice symmetry from tetragonal to orthoromhbic near $\sim$97 K, and then orders antiferromagnetically at $T_N=91$ K before developing weak superconductivity below $\sim$15 K. Although superconductivity appears to co-exist with static antiferromagnetic order from transport and neutron diffraction measurement, inelastic neutron scattering experiments reveal that magnetic excitations do not respond to superconductivity. Instead, the effect of elect…
We use inelastic neutron scattering (INS) spectroscopy to study the magnetic excitations spectra throughout the Brioullion zone in electron-doped iron pnictide superconductors BaFe$_{2-x}$Ni$_{x}$As$_{2}$ with $x=0.096,0.15,0.18$. While the $x=0.096$ sample is near optimal superconductivity with $T_c=20$ K and has coexisting static incommensurate magnetic order, the $x=0.15,0.18$ samples are electron-overdoped with reduced $T_c$ of 14 K and 8 K, respectively, and have no static antiferromagnetic (AF) order. In previous INS work on undoped ($x=0$) and electron optimally doped ($x=0.1$) samples,…
The evolution of pressure induced superconductivity in single crystal as well as polycrystalline samples of BaFe2As2 has been investigated through temperature dependent electrical resistivity studies in 0-7 GPa pressure range. While the superconducting transition remains incomplete in polycrystalline sample, a clear pressure induced superconductivity with zero resistivity at the expense of magnetic transition, associated with spin density wave (SDW), is observed in the single crystal sample. The superconducting transition temperature (TC) is seen to increase upto a moderate pressure of about ~…
We have performed high resolution x-ray scattering measurements on single crystal samples of Ba(Fe(1-x)Cr(x))2As2 (x = 0 to 0.335). These measurements examine the effect of Cr-doping on the high temperature tetragonal (I4/mmm) to low temperature orthorhombic (Fmmm) structural phase transition of the parent compound BaFe2As2. Increasing Cr concentration is found to suppress the structural transition temperature (Ts), and reduce the magnitude of the orthorhombic strain (delta). The doping dependence of the orthorhombic strain, combined with complementary measurements of the high temperature magn…
Electron doping of a 122-type iron pnictide BaFe2As2 by substituting the Ba site with an aliovalent ion (indirect doping), which had been unsuccessful by conventional solid-state synthesis methods, was achieved by a non-equilibrium film growth process. The substitution with La was substantiated by a systematic shrinkage of the c-axis lattice parameter due to the smaller ionic radius of La3+ than that of Ba2+. A negative Hall coefficient indicated that the majority carriers were electrons, as is consistent with this aliovalent ion doping. The La substitution suppressed an antiferromagnetic tran…
Application of pressures or electron-doping through Co substitution into Fe sites transforms the itinerant antiferromagnet BaFe(2)As(2) into a superconductor with the Tc exceeding 20K. We carried out systematic transport measurements of BaFe(2-x)Co(x)As(2) superconductors in pressures up to 2.5GPa, and elucidate the interplay between the effects of electron-doping and pressures. For the underdoped sample with nominal composition x = 0.08, application of pressure strongly suppresses a magnetic instability while enhancing Tc by nearly a factor of two from 11K to 21K. In contrast, the optimally d…
The recently discovered FeAs-based superconductors are a new, promising set of materials for both technological as well as basic research. They offer transition temperatures as high as 55 K as well as essentially isotropic and extremely large upper, superconducting critical fields in excess of 40 T at 20 K. In addition they may well provide insight into exotic superconductivity that extends beyond just FeAs-based superconductivity, perhaps even shedding light on the still perplexing CuO-based high-Tc materials. Whereas superconductivity can be induced in the RFeAsO (R = rare earth) and AEFe2As…
Inelastic neutron scattering measurements have been performed to investigate the spin waves of the quasi-one-dimensional antiferromagnetic ladder compound BaFe$_2$S$_3$, where a superconducting transition was observed under pressure [H. Takahashi {\it et al.}, Nat. Mater. 14, 1008-1012 (2015); T. Yamauchi {\it et al.}, Phys. Rev. Lett. 115, 246402 (2015)]. By fitting the spherically averaged experimental data collected on a powder sample to a Heisenberg Hamiltonian, we find that the one-dimensional antiferromagnetic ladder exhibits a strong nearest neighbor ferromagnetic exchange interaction (…
High-temperature superconductivity in iron pnictides occurs when electrons are doped into their antiferromagnetic (AF) parent compounds. In addition to inducing superconductivity, electron-doping also changes the static commensurate AF order in the undoped parent compounds into short-range incommensurate AF order near optimal superconductivity. Here we use neutron scattering to demonstrate that the incommensurate AF order in BaFe$_{2-x}$Ni$_{x}$As$_{2}$ is not a spin-density-wave arising from the itinerant electrons in nested Fermi surfaces, but consistent with a cluster spin glass in the matr…
We present a systematic study on the heavily Cr doped iron pnictides BaFe$_{1.9-x}$Ni$_{0.1}$Cr$_{x}$As$_{2}$ by using elastic neutron scattering, high-resolution synchrotron X-ray diffraction (XRD), resistivity and Hall transport measurements. When the Cr concentration increases from $x=$ 0 to 0.8, neutron diffraction experiments suggest that the collinear antiferromagnetism persists in the whole doping range, where the Néel temperature $T_N$ coincides with the tetragonal-to-orthorhombic structural transition temperature $T_s$, and both of them keeps around 35 K. The magnetic ordered moment, …
Hole doping and electronic correlations in Cr-substituted BaFe$_{2}$As$_{2}$
Universidade de São Paulo（圣保罗大学）；European Synchrotron Radiation Facility（欧洲同步辐射装置）；UNICAMP（坎皮纳斯州立大学）；Université de Fribourg（弗里堡大学）；Universidade Federal de Minas Gerais（米纳斯吉拉斯联邦大学）；Ames Laboratory, U.S. DOE（美国能源部艾姆斯实验室）
Employing virtual crystal approximation and super-cell methods for doping, we have performed a comparative study of the electronic structures of various doped BaFe$_2$As$_2$ materials by first principles simulations. Both of these methods give rise to a similar density of states and band structures in case of hole doping (K doping in Ba site) and iso-electronic P doping in As site. But in case of electron doped systems with higher doping concentration, electronic structures, calculated using virtual crystal approximation approach deviates from that of the super-cell method. On the other hand i…
Single crystals of Ba_{1-x}Rb_{x}Fe_2As_2 with x=0.05-0.1 have been grown from Sn flux and are bulk superconductors with T_c up to 23 K. The crystal structure was determined by X-ray diffraction analysis, and Sn is found to be incorporated for 9% Ba, shifted by 1.1 Angstroem away from the Ba site towards the (Fe_2As_2)-layers. The upper critical field deduced from resistance measurements is anisotropic with slopes of 7.1(3) T/K (H || ab-plane) and 4.2(2) T/K (H || c-axis), sufficiently far below T_c. The extracted upper critical field anisotropy of 3 close to T_c, is in good agreement with the…
In previous work in undoped MFe2As2, partial drops in the resistivity indicative of traces of superconductivity have been observed in some samples of M=Ba (Tc ~ 20 K, up to 25% drop in resistivity) and M=Ca (Tc ~ 10 K, up to 45 % drop in resistivity.) A complete drop in the resistivity to 0, along with a finite fraction of Meissner flux expulsion, has been observed in M=Sr, Tc = 22 K. Using In-flux grown single crystal samples of undoped BaFe2As2, we find a complete drop in the resistivity to 0 in most samples beginning at Tc(onset) = 22.5 K. However, in contrast to the SrFe2As2 results, there…
The ionization energy theory is used to calculate the evolution of the resistivity and specific heat curves with respect to different doping elements in the recently discovered superconducting Pnictide materials. Subsequently, the electron-conduction mechanism in the Pnictides above the structural transition temperature is explained unambiguously, which is also consistent with other strongly correlated matter, such as cuprates, manganites, titanates and magnetic semiconductors. Therefore, the superconductivity is not uniquely corresponds to the electronic properties above the structural transi…
The effect of electron doping by trivalent charge state rare-earth ion (RE = La, Ce, Pr, and Nd) substitutions on the superconductivity in BaFe2As2 was examined using epitaxial films. Each of the RE substitutions suppressed the resistivity anomaly associated with the magnetic/structural phase transitions, leading to the resistivity drops and superconductivity transitions. Bulk superconductivity was observed at the maximum onset critical temperature (Tconset) of 22.4 K for La-doping and 13.4 K for Ce-doping, while only broad resistivity drops were observed at 6.2 K for Pr-doping and 5.8 K for N…
We present the results of elastic and inelastic neutron scattering measurements on non-superconducting Ba(Fe${_{0.957}}$Cu${_{0.043}}$)${_2}$As${_2}$, a composition close to a quantum critical point between AFM ordered and paramagnetic phases. By comparing these results with the spin fluctuations in the low Cu composition as well as the parent compound BaFe$_2$As$_2$ and superconducting Ba(Fe$_{1-x}$Ni$_x$)$_2$As$_2$ compounds, we demonstrate that paramagnon-like spin fluctuations are evident in the antiferromagnetically ordered state of Ba(Fe$_{0.957}$Cu$_{0.043}$)$_2$As$_2$, which is distinc…
We report on synthesis of single crystals of BaFe2Se3 and study of their crystal and magnetic structures by means of synchrotron single crystal X-ray and neutron powder diffraction. The crystal structure has orthorhombic symmetry and consists of double chains of FeSe4 edge connected tetrahedra intercalated by barium. Below 240 K long range block-spin checkerboard antiferromagnetic (AFM) order is developed. The magnetic structure is similar to one observed in A0.8Fe1.6Se2 (A=K, Rb or Cs) superconductors. The crystals exhibit a transition to the diamagnetic state with an onset transition tempera…
The discovery of high-transition temperature (high-Tc) superconductivity near antiferromagnetism in iron arsenides raised the possibility of an unconventional superconducting mechansim1-8. The observation of clear Fermi surfaces and nodeless superconducting gaps by angle resolved photoemission9-12 suggests that electron pairing in these materials may be mediated by quasiparticle excitations between sign reversed hole and electron Fermi pockets5-8. Although the presence of a 'resonance' in the spin excitation spectrum found by inelastic neutron scattering13-17 is consistent with this picture18-…
All the iron-based superconductors identified to date share a square lattice composed of Fe atoms as a common feature, despite having different crystal structures. In copper-based materials, the superconducting phase emerges not only in square lattice structures but also in ladder structures. Yet iron-based superconductors without a square lattice motif have not been found despite being actively sought out. Here, we report the discovery of pressure-induced superconductivity in the iron-based spin-ladder material BaFe2S3, a Mott insulator with striped-type magnetic ordering below ~120 K. On the…
We report a comprehensive study of the spin ladder compound BaFe$_2$S$_{2.5}$Se$_{0.5}$ using neutron diffraction, inelastic neutron scattering, high pressure synchrotron diffraction, and high pressure transport techniques. We find that BaFe$_2$S$_{2.5}$Se$_{0.5}$ possesses the same $Cmcm$ structure and stripe antiferromagnetic order as does BaFe$_2$S$_3$, but with a reduced N{é}el temperature of $T_N=98$ K compared to 120 K for the undoped system, and a slightly increased ordered moment of 1.40$μ_B$ per iron. The low-energy spin excitations in BaFe$_2$S$_{2.5}$Se$_{0.5}$ are likewise similar …
We report an infrared optical study of the pnictide high-temperature superconductor BaFe$_{1.84}$Co$_{0.16}$As$_{2}$ and its parent compound BaFe$_{2}$As$_{2}$. We demonstrate that electronic correlations are moderately strong and do not change across the spin-density wave transition or with doping. By examining the energy scale and direction of spectral weight transfer, we argue that Hund's coupling \emph{J} is the primary mechanism that gives rise to correlations.
The discovery of superconductivity in the two-leg ladder compound BaFe$_2$S$_3$ has established the 123-type iron chalcogenides as a novel and interesting subgroup of the iron-based superconductors family. However, in this 123 series, BaFe$_2$Se$_3$ is an exceptional member, with a magnetic order and crystalline structure different from all others. Recently, an exciting experiment reported the emergence of superconductivity in BaFe$_2$Se$_3$ at high pressure [J.-J. Ying, et al., Phys. Rev. B 95, 241109 (R) (2017)]. In this publication, we report a first principles study of BaFe$_2$Se$_3$. Our …
Temperature-dependent reflectivity measurements in the frequency range 85 - 7000 cm$^{-1}$ were performed on BaFe$_2$As$_2$ single crystals under pressure up to $\sim$5 GPa. The corresponding pressure- and temperature-dependent optical conductivity was analyzed with the Drude-Lorentz model to extract the coherent and incoherent contributions. The gradual suppression of the spin-density wave (SDW) state with increasing pressure and the appearance of the superconducting phase coexisting with the SDW phase at 3.6~GPa were observed. At 3.6~GPa, the reflectivity reaches unity below $\sim$95~cm$^{-1…
We present a systematic investigation of the antiferromagnetic ordering and structural distortion for the series of Ba(Fe{1-x}Ru{x})2As2 compounds (0 <= x <= 0.246). Neutron and x-ray diffraction measurements demonstrate that, unlike for the electron-doped compounds, the structural and magnetic transitions remain coincident in temperature. Both the magnetic and structural transitions are gradually suppressed with increased Ru concentration and coexist with superconductivity. For samples that are superconducting, we find strong competition between superconductivity, the antiferromagnetic orderi…
Temperature dependent high pressure electrical resistivity studies has been carried out on Ba(Fe_{1-x}Ru_{x})_{2}As_{2} single crystals with x = 0.12, 0.26 and 0.35, which correspond to under doped, optimally doped and over doped composition regimes respectively. The evolution of structural/magnetic (T_{S-M}) and superconducting transition (T_(c)) temperatures, with pressure for various compositions have been obtained. The normal state resistivity has been analyzed in terms of a model that incorporates both spin fluctuations and the opening of the gap in the spin density wave (SDW)phase. It is…
