Small anisotropy, weak thermal fluctuations, and high field superconductivity in Co-doped iron pnictide Ba(Fe1-xCox)2As2
A. Yamamoto, J. Jaroszynski, C. Tarantini, L. Balicas, J. Jiang, A. Gurevich, D. C. Larbalestier, R. Jin, A. S. Sefat, M. A. McGuire, B. C. Sales, D. K. Christen, D. Mandrus
We performed high-field magnetotransport and magnetization measurements on a single crystal of the 122-phase iron pnictide Ba(Fe1-xCox)2As2. Unlike the HTS cuprates and 1111-phase oxypnictides, Ba(Fe1-xCox)2As2 showed practically no broadening of the resistive transitions under magnetic fields up to 45 T. The mass anisotropy gamma = Hc2ab/Hc2c deduced from the slopes of the upper critical field dHc2ab/dT = 4.9T/K and dHc2c/dT = 2.5T/K decreases from ~2 near Tc, to ~1.5 at lower temperatures. We observed the irreversibility field close to Hc2, and a rather unusual symmetric volume pinning force curve Fp(H) suggestive of strong pinning nano-structure.
An extensive calorimetric study of the normal- and superconducting-state properties of Ba(Fe1-xCox)2As2 is presented for 0 < x < 0.2. The normal-state Sommerfeld coefficient increases (decreases) with Co doping for x < 0.06 (x > 0.06), which illustrates the strong competition between magnetism and superconductivity to monopolize the Fermi surface in the underdoped region and the filling of the hole bands for overdoped Ba(Fe1-xCox)2As2. All superconducting samples exhibit a residual electronic density of states of unknown origin in the zero-temperature limit, which is minimal at optimal doping …
We show that despite the low anisotropy, strong vortex pinning and high irreversibility field Hirr close to the upper critical field Hc2 of Ba(Fe1-xCox)2As2, the critical current density Jgb across [001] tilt grain boundaries (GBs) of thin film Ba(Fe1-xCox)2As2 bicrystals is strongly depressed, similar to high-Tc cuprates. Our results suggest that weak-linked GBs are characteristic of both cuprates and pnictides because of competing orders, low carrier density, and unconventional pairing symmetry.
The biaxially textured growth of superconducting Co-doped BaFe2As2 (Ba-122) thin films has been realized on ion beam assisted deposition (IBAD) MgO coated conductor templates by employing an iron buffer architecture. The iron pnictide coated conductor showed a superconducting transition temperature of 21.5 K, which is slightly lower than that of Co-doped Ba-122 films on single crystalline MgO substrates. A self-field critical current density of over 10^5 A/cm2 has already been achieved even at 8 K. The current experiment highlights the potential of possible coated conductor applications of the…
The first-principles electronic structure calculations made substantial contribution to study of high $T_c$ iron-pnictide superconductors. By the calculations, LaFeAsO was first predicted to be an antiferromagnetic semimetal, and the novel bi-collinear antiferromagnetic order was predicted for $α$-FeTe. Moreover, based on the calculations the underlying mechanism was proposed to be Arsenic-bridged antiferromagnetic superexchange interaction between the next-nearest neighbor Fe moments. In this article, this physical picture is further presented and discussed in association with the elaborate f…
Similar to the cuprate high TC superconductors, the iron pnictide superconductors also lie in close proximity to a magnetically ordered phase. A central debate concerning the superconducting mechanism is whether the local magnetic moments play an indispensable role or the itinerant electron description is sufficient. A key step for resolving this issue is to acquire a comprehensive picture regarding the nature of various phases and interactions in the iron compounds. Here we report the doping, temperature, and spatial evolutions of the electronic structure of NaFe1-xCoxAs studied by scanning t…
Platelet-like single crystals of the Ca(Fe1-xCox)2As2 series having lateral dimensions up to 15 mm and thickness up to 0.5 mm were obtained from the high temperature solution growth technique using Sn flux. Upon Co doping, the c-axis of the tetragonal unit cell decreases, while the a-axis shows a less significant variation. Pristine CaFe2As2 shows a combined spin-density-wave and structural transition near T = 166 K which gradually shifts to lower temperatures and splits with increasing Co-doping. Both transitions terminate abruptly at a critical Co-concentration of xc = 0.075. For x \geq 0.05…
We examine the appearance of a spin density wave in the FeAs parent compounds due to an excitonic instability. Using a realistic four-band model, we show that the magnetic state depends very sensitively upon the details of the band structure. We demonstrate that an orthorhombic distortion of the crystal enhances the stability of the antiferromagnetic order.
Motivated by the iron pnictides, we examine the spin excitations in an itinerant antiferromagnet where a spin-density wave (SDW) originates from an excitonic instability of nested electron-like and hole-like Fermi pockets. Using the random phase approximation (RPA), we derive the Dyson equation for the transverse susceptibility in the excitonic SDW state. The Dyson equation is solved for two different two-band models, describing an antiferromagnetic insulator and metal, respectively. We determine the collective spin-wave dispersions and also consider the single-particle continua. The results f…
From first principles calculations we unravel surprisingly strong interactions between arsenic ions in iron-pnictides, the strength of which is controlled by the Fe-spin state. Reducing the Fe-magnetic moment, weakens the Fe-As bonding, and in turn, increases As-As interactions, causing giant reduction in the c-axis. For CaFe$_2$As$_2$ system, this reduction is as large as 1.4 Å. Since the large c-reduction has been recently observed only under high-pressure\cite{cTphase}, our results suggest that the iron magnetic moment should be present in Fe-pnictides at all times at ambient pressure. Fina…
Although the origin of high temperature superconductivity in the iron pnictides is still under debate, it is widely believed that magnetic interactions or fluctuations play an important role in triggering Cooper pairing. Because of the relevance of magnetism to pairing, the question of whether long range spin magnetic order can coexist with superconductivity microscopically has attracted strong interests. The available experimental methods used to answer this question are either bulk probes or local ones without control of probing position, thus the answers range from mutual exclusion to homog…
We discuss the role of striction in the intertwined magnetic and structural phase transitions in the underdoped iron-pnictides. The magneto-elastic coupling to acoustic modes is then derived and estimated in framework of the multiband spectrum for itinerant electrons with nesting features. We argue that the 1-st order character of the magneto-elastic phase transition originates from the lattice instabilities near the onset of spin-density wave order introducing, thus, a shear acoustic mode as a new order parameter. Taking non-harmonic termis in the lattice energy into account may explain the s…
Double exchange mechanism is believed to favor transport along ferromagnetic directions, the failure of which in explaining the unusual resistivity anisotropy in iron pnictides is investigated. Several factors intrinsic to the microscopic mechanism of transport in iron pnictides are identified and analyzed, including the moderate Hund's coupling, low local moment, and presence of two anisotropic degenerate orbitals xz and yz. In particular, the substantial second neighbor hoppings are found to be decisive in giving results opposite to the double exchange picture. In high temperature nonmagneti…
Ultrafast terahertz (THz) pump{probe spectroscopy reveals unusual out-of-equilibrium Cooper pair dynamics driven by femtosecond (fs) optical quench of superconductivity (SC) in iron pnictides. We observe a two{step quench of the SC gap, where an abnormally slow (many 100's of ps) quench process is clearly distinguished from the usual fast (sub-ps) hot{phonon{mediated scattering channel. This pair breaking dynamics depends strongly on doping, pump uence, and temperature. The above observations, together with quantum kinetic modeling of non-equilibrium SC and magnetic correlations, provide evide…
By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean field theory with continuous time quantum Monte Carlo as an impurity solver, we observe that the antiferromagnetic metal with small magnetic moment naturally arises out of coupling between unfrustrated and frustrated bands. Our results point to a possible scenario for magnetism in iron pnictides where magnetism originates from a strong instability at the momentum vector ($π$, $π$, $π$) while it is reduced by quantum fluc…
We first analyze why the iron pnictides with high $T_c$ superconductivity so far are As-based, by the Hund's rule correlation picture, then examine the P-based and Sb-based cases, respectively. Consequently, we propose that CaClFeP with ZrCuSiAs-type structure is an As-free high $T_c$ iron-pnictide. The subsequent density functional theory calculations show that the ground state of CaClFeP is of a collinearly antiferromagnetic order on Fe moments with structural distortion, resulting from the interplay between the strong nearest and next-nearest neighbor antiferromagnetic superexchange interac…
While in strongly correlated materials one often focuses on local electronic correlations, the influence of non-local exchange and correlation effects beyond band-theory can be pertinent in systems with more extended orbitals. Thus in many compounds an adequate theoretical description requires the joint treatment of local and non-local self-energies. Here, I will argue that this is the case for the iron pnictide and chalcogenide superconductors. As an approach to tackle their electronic structure, I will detail the implementation of the recently proposed scheme that combines the quasi-particle…
The electronic structure of iron pnictides is topologically nontrivial, leading to the appearance of Dirac cones in the band structure for the antiferromagnetic phase. Motivated by the analogy with Dirac cones in graphene, we explore the possible existence of topologically protected surface states. Surprisingly, bands of surface states exist even in the paramagnetic state. A realistic five-orbital model predicts two such bands. In the antiferromagnetic phase, these surface bands survive but split. We obtain the bulk and surface dispersion from exact diagonalization of two- and five-orbital mod…
The nontrivial topology of the electronic structure of iron pnictides can lead to the appearance of surface states. We study such states in various strip geometries with a focus on the superconducting phase. In the presence of unconventional superconducting pairing with $s_\pm$-wave gap structure, the topological states are quite robust and partly remain in the superconducting gap. Furthermore, Andreev bound states appear, which coexist with the topological states for small superconducting gaps and merge with them for larger gap values. The bulk and surface dispersions are obtained from exact …
We calculate the strength of the frequency-dependent on-site electronic interactions in the iron pnictides LaFeAsO, BaFe2As2, BaRu2As2, and LiFeAs and the chalcogenide FeSe from first principles within the constrained random phase approximation. We discuss the accuracy of an atomic-like parametrization of the two-index density-density interaction matrices based on the calculation of an optimal set of three independent Slater integrals, assuming that the angular part of the Fe-d localized orbitals can be described within spherical harmonics as for isolated Fe atoms. We show that its quality dep…
