We apply a Hartree-Fock approximation to a two-orbital model proposed for Fe pnictide superconductors. It is found that the antiferromagnetic (AFM) order with the ordering vector Q=(pi,0) is realized. The AFM order appears simultaneously with ferro-orbital order, the latter leads to a secondary lattice distortion. We also investigate the influence of doping on the AFM order. The size of the AFM moment changes continuously for lightly doped cases, but when the amount of doped carriers exceeds a certain value the AFM state is suddenly destroyed. We also show that Fermi surfaces remain and change significantly on doping even in the AFM state. This behaviour is explained by considering the nesting due to the multi-sheet Fermi-surface structure and multiorbital nature of the electronic bands characteristic to Fe pnictides.
We elucidate the pivotal role of the bandstructure's orbital content in deciding the type of commensurate magnetic order stabilized within the itinerant scenario of iron-pnictides. Recent experimental findings in the tetragonal magnetic phase attest to the existence of the so-called charge and spin ordered density wave over the spin-vortex crystal phase, the latter of which tends to be favored in simplified band models of itinerant magnetism. Here we show that employing a multiorbital itinerant Landau approach based on realistic bandstructures can account for the experimentally observed magnet…
To investigate correlation effects on antiferromagnetic order in Fe pnictides, we apply a variational Monte Carlo method to a two-orbital model. We obtain a small ordered moment consistent with experimental observations even for a Coulomb interaction comparable to the band width. Studies of estimation of the Coulomb interaction for Fe pnictides suggest values comparable to or slightly smaller than the band width, and much larger ordered moments have been obtained by the Hartree-Fock approximation for such a large Coulomb interaction. Thus, the correlation effect is important for Fe pnictides a…
The results of neutron scattering and angle-resolved photoemission experiments for the Fe-pnictide parent compounds, and their metallic nature, are shown to impose severe constraints on the range of values that can be considered "realistic" for the intraorbital Hubbard repulsion U and Hund coupling J in multiorbital Hubbard models treated in the mean-field approximation. Phase diagrams for three- and five-orbital models are here provided, and the physically realistic regime of couplings is highlighted, to guide future theoretical work into the proper region of parameters of Hubbard models. In …
We study the orbital-dependent superconducting pairing in a five-orbital t-J1-J2 model for iron pnictides. Depending on the orbital selectivity of electron correlations and the orbital characters along the Fermi surface, the superconducting gap in an A_{1g} pairing state may exhibit anisotropy. This anisotropy varies with the degree of J1-J2 magnetic frustration. We have also calculated the dynamical spin susceptibility in the superconducting state. The frequency dependence of the susceptibility at the antiferromagnetic wavevector (π,0) shows a resonance, whose width is enhanced by the orbital…
In several members of the pnictide materials, spin density wave order coexists with superconductivity over a range of dopings and temperature. In this paper we show that odd-frequency superconductivity emerges on the edges of pnictides in such a coexistence phase. In particular, the breaking of spin-rotation symmetry by SDW and translation symmetry by the edge can lead to the development of odd-frequency spin-triplet Cooper pairing on edges of superconducting pnictide samples. In this case, the odd-frequency pairing has even parity components, which are immune to disorder. Our results show tha…
Both families of high $T_c$ superconductors, iron pnictides and cuprates, exhibit material dependence of superconductivity. Here, we study its origin within the spin fluctuation pairing theory based on multiorbital models that take into account realistic band structures. For pnictides, we show that the presence and absence of Fermi surface pockets is sensitive to the pnictogen height measured from the iron plane due to the multiorbital nature of the system, which is reflected to the nodeless/nodal form of the superconducting gap and $T_c$. Surprisingly, even for the cuprates, which is conventi…
We report electronic structure calculations for BaTi$_2$Sb$_2$O and discuss the results in relation to the observed superconductivity of this material when hole doped with Na. The Fermi surface shows several sheets. These include a nested nearly 2D cylinder. There are also two sheets, which are three dimensional, in spite of the layered crystal structure. A magnetic instability associated with Fermi surface nesting is found. A sign-changing s-wave state, different from the one in the Fe-based superconductors, is predicted within a scenario of spin-fluctuation mediated superconductivity.
We study the doping dependence of the spin-density-wave (SDW) state in four models of the 1111 pnictides. The random-phase approximation is used to determine the ordering temperature and the ordering vector as functions of doping, and to evaluate the contribution of the various orbitals to the SDW instability. In addition to the usual assumption of orbitally rotation-invariant interactions, we consider the effect of reduced interactions involving the xy orbital, which are anticipated by crystal-structure considerations. We find that changing the relative strength of the interaction in the xy o…
There is increasing recognition that the multiorbital nature of the 3d electrons is important to the proper description of the electronic states in the normal state of the iron-based superconductors. Earlier studies of the pertinent multiorbital Hubbard models identified an orbital-selective Mott phase, which anchors the orbital-selective behavior seen in the overall phase diagram. An important characteristics of the models is that the orbitals are kinetically coupled -- i.e. hybridized -- to each other, which makes the orbital-selective Mott phase especially nontrivial. A U(1) slave-spin meth…
Multi-orbital Hubbard model Hamiltonians for the undoped parent compounds of the Fe-pnictide superconductors are here investigated using mean-field techniques. For a realistic four-orbital model, our results show the existence of an intermediate Hubbard U coupling regime where the mean-field ground state has spin stripe magnetic order, as in neutron scattering experiments, while remaining metallic, due to the phenomenon of band overlaps. The angle-resolved photoemission intensity and Fermi surface of this magnetic and metallic state are discussed. Other models are also investigated, including …
Weak-coupling approaches to the pairing problem in the iron pnictide superconductors have predicted a wide variety of superconducting ground states. We argue here that this is due both to the inadequacy of certain approximations to the effective low-energy band structure, and to the natural near-degeneracy of different pairing channels in superconductors with many distinct Fermi surface sheets. In particular, we review attempts to construct two-orbital effective band models, the argument for their fundamental inconsistency with the symmetry of these materials, and the comparison of the dynamic…
The discovery of high-$T_c$ superconductivity in the pnictides, materials with a Fermi surface determined by several bands, highlights the need to understand how superconductivity arises in multiband systems. In this effort, using symmetry considerations and mean-field approximations, we discuss how strong hybridization among orbitals may lead to both intra and interband pairing, and we present calculations of the spectral functions to guide the experimental search for this kind of state.
In the commented work (PRL 109, 187005 (2012)), Rullier-Albenque et al. present measurements of transverse magnetoresistivity above the transition temperature Tc in clean LiFeAs. By analyzing their data, these authors conclude that the conductivity induced by fluctuations follows a two-dimensional (2D) behavior even close to Tc, in spite that for LiFeAs the transverse coherence length ($ξ_c$(0)=1.6 nm) is larger than the Fe-layers spacing (s=0.636 nm), which would rather suggest a three-dimensional (3D) behavior. This striking proposal would have deep implications in the theoretical understand…
We have performed detailed $^{57}$Fe Mössbauer spectroscopy measurements on Ba$_{0.78}$K$_{0.22}$Fe$_2$As$_2$ and BaFe$_{2-x}$Ni$_x$As$_2$ single crystal mosaics showing antiferromagnetic ordering below $T_N$ with superconductivity below $T_C$. Analysis of the Mössbauer spectra shows a decrease in the magnetic hyperfine (hf) field but no change in the magnetic volume fraction below $T_C$. This clearly indicates the coexistence of magnetism and superconductivity in these compounds. The decrease in the magnetic hf field below $T_C$ depends on the difference between $T_N$ and $T_C$, being the lar…
The origin of the nematic state is an important puzzle to be solved in iron pnictides. Iron superconductors are multiorbital systems and these orbitals play an important role at low energy. The singular $C_4$ symmetry of $d_{zx}$ and $d_{yz}$ orbitals has a profound influence at the Fermi surface since the $Γ$ pocket has vortex structure in the orbital space and the X/Y electron pockets have $yz$/$zx$ components respectively. We propose a low energy theory for the spin--nematic model derived from a multiorbital Hamiltonian. In the standard spin--nematic scenario the ellipticity of the electron…
Electron correlations produce a rich phase diagram in the iron pnictides. Earlier theoretical studies on the correlation effect demonstrated how quantum fluctuations weaken and concurrently suppress a $C_2$-symmetric single-Q antiferromagnetic order and a nematic order. Here we examine the emergent phases near the quantum phase transition. For a $C_4$-symmetric collinear double-Q antiferromagnetic order, we show that it is accompanied by both a charge order and an enhanced nematic susceptibility. Our results provide understanding for several intriguing recent experiments in hole-doped iron ars…
The present article reviews recent experimental investigations of spin dynamics in iron-based superconductors and their parent compounds by means of inelastic neutron scattering. It mainly focuses on the most contemporary developments in this field, pertaining to the observations of magnetic resonant modes in new superconductors, spin anisotropy of low-energy magnetic fluctuations that has now been observed in a wide range of chemical compositions and doping levels, as well as their momentum-space anisotropy incurred by the spin-nematic order. The implications of these new findings for our und…
The resistivity, Hall effect and transverse magnetoresistance (MR) have been measured in low residual resistivity single crystals of LiFeAs. A comparison with angle resolved photoemission spectroscopy and quantum oscillation data implies that four carrier bands unevenly contribute to the transport. However the scattering rates of the carriers all display the T^2 behavior expected for a Fermi liquid. Near Tc low field deviations of the MR with respect to a H^2 variation permit us to extract the superconducting fluctuation contribution to the conductivity. Though below Tc the anisotropy of super…
The heterogeneous coexistence of antiferromagnetism (SDW) and superconductivity on a mesoscopic scale was observed in iron-pnictides in many recent experiments. We suggest and discuss the scenario in which the heterogeneity is caused by formation of domain walls inherent to the SDW state of pnictides at a proper doping or under applied pressure. Superconductivity would emerge from the modulated SDW structure. The phenomenon is akin to the FFLO-phase in superconductors.
We develop an effective multiorbital mean-field t-J Hamiltonian with realistic tight-binding and exchange parameters to describe the electronic and magnetic structures of iron-selenide based superconductors $A_x$Fe$_{2-y}$Se$_2$ for iron vacancy doping in the range $0 \leq y \leq 0.4$. The Fermi surface topology extracted from the spectral function of angle-resolved photoemission spectroscopy (ARPES) experiments is adequately accounted for by a tight-binding lattice model with random vacancy disorder. Since introducing iron vacancies breaks the lattice periodicity of the stochiometric compound…
We study the condition for optimizing superconductivity in the iron pnictides from the lattice structure point of view. Studying the band structure of the hypothetical lattice structure of LaFeAsO, the hole Fermi surface multiplicity is found to be maximized around the Fe-As-Fe bond angle regime where the arsenic atoms form a regular tetrahedron. Superconductivity is optimized within this three hole Fermi surface regime, while the stoner factor of the antiferromagnetism has an overall tendency of increasing upon decreasing the bond angle. Combining also the effect of the varying the Fe-As bond…
The recent discovery of superconductivity in the iron-based layered pnictides with T_c ranging between 26 and 56K generated enormous interest in the physics of these materials. Here, we review some of the peculiarities of the antiferromagnetic order in the iron pnictides, including the selection of the stripe magnetic order and the formation of the Ising-nematic state in the unfolded BZ within an itinerant description. In addition we analyze the properties of the quasiparticle interference spectrum in the parent antiferromagnetic phase.
The present work describes the theoretical analysis of isotope effect coefficient as a function of transition temperature in two orbital per site model Hamiltonian in iron based superconducting system. The expression of isotope effect coefficient has been computed numerically and self-consistently by employing Green's function technique within the BCS-mean-field approximation. It is observed that the isotope effect coefficient increases with the increase of the hybridization while with the increase in Coulomb interaction it starts decreasing. On increasing the carrier density per site in two o…
Orbital polarization and electronic correlation are two essential aspects in understanding the normal state and superconducting properties of multiorbital FeAs-based superconductors. In this Letter, we present a systematical study on the orbital polarization of iron pnictides from weak to strong Coulomb correlations within the KRSB approach. The magnetic phase diagram of the two-orbital model for LaFeAsO clearly shows that the striped antiferromagnetic metallic phase with considerable orbital polarization exists over a wide doping range. The reversal of the orbital polarization occurs in the i…
We examine the competition of the observed stripe spin density wave (SDW) with other commensurate and incommensurate SDW phases in a two-band model of the pnictides. Starting from this microscopic model, we rigorously derive an expansion of the free energy in terms of the different order parameters at the mean-field level. We show that three distinct commensurate SDW states are possible and study their appearance as a function of the doping and the electronic structure. We show that the stripe phase is generally present, but its extent in the phase diagram depends strongly upon the number of h…
We have carried out density-functional theory (DFT) calculations for the chromium pnictide BaCr2P2, which is structurally analogous to BaFe2As2, a parent compound for iron-pnictide superconductors. Evolutionary methods combined with DFT predict that the chromium analog has the same crystal structure as the latter. DFT also predicts Neel antiferromagnetic order on the chromium sites. Comparison with a simple electron-hopping model over a square lattice of chromium atoms suggests that it is due to residual nesting of the Fermi surfaces. We have confirmed the DFT predictions directly after the su…
We study the correlation effects on the electronic structure and spin density wave order in Fe-pnictides. Using the multiorbital Hubbard model and Gutzwiller projection, we show that nonperturbative correlation effects are essential to stabilize the metallic spin density wave phase for the intermediate correlation strengths appropriate for pnictides. We find that the ordered moments depend sensitively on the Hund's rule coupling $J$ but weakly on the intraorbital Coulomb repulsion $U$, varying from $0.3μ_B$ to $1.5μ_B$ in the range $J=0.3\sim0.8$ eV for $U=3\sim4$ eV. We obtain the phase diagr…
The magnetic excitations of the iron pnictides are explained within a degenerate double-exchange model. The local-moment spins are coupled by superexchanges $J_1$ and $J_2$ between nearest and next-nearest neighbors, respectively, and interact with the itinerant electrons of the degenerate $d_{xz}$ and $d_{yz}$ orbitals via a ferromagnetic Hund exchange. The latter stabilizes $(π,0)$ stripe antiferromagnetism due to emergent ferro-orbital order and the resulting kinetic energy gain by hopping preferably along the ferromagnetic spin direction. Taking the quantum nature of the spins into account…
To perform a local orbital analysis of electronic and magnetic interactions, we construct the Wannier functions (WFs) of the Fe $3d$ orbitals in the parent compound of the recently discovered iron pnictide superconductors, LaFeAsO, and a comparison material LaFePO. Comparing the WFs for the stripe antiferromagnetic order with those for no magnetic order, the difference is a significant spreading (``{\it de}localization'') of specifically the $d_{xy}$ and $d_{xz}$ (but not $d_{yz}$) WFs, where parallel Fe spins lie along the $x$ direction. The WF basis gives a tight-binding representation of th…
We report the effect of applied pressures on magnetic and superconducting order in single crystals of the aliovalent La-doped iron pnictide material Ca$_{1-x}$La$_{x}$Fe$_{2}$As$_{2}$. Using electrical transport, elastic neutron scattering and resonant tunnel diode oscillator measurements on samples under both quasi-hydrostatic and hydrostatic pressure conditions, we report a series of phase diagrams spanning the range of substitution concentrations for both antiferromagnetic and superconducting ground states that include pressure-tuning through the antiferromagnetic (AFM) quantum critical poi…
We obtain and analyze the phase diagram of doped iron-pnictides under the assumption that doping adds non-magnetic impurities to the system but does not change the densities of carriers. We show that the phase diagram is quite similar to the one obtained under the opposite rigid band assumption. In both cases, there is a phase where extended s+- superconductivity and antiferromagnetism co-exist. We evaluate the jump of the specific heat at the superconducting transition across the phase diagram and show that the jump is non-monotonic, with the maximum at the onset of the co-existence phase. Ou…
To understand the amazing variety of the superconducting states of Fe-based superconductors, we analyze the multiorbital Hubbard models for LaFeAsO and LiFeAs going beyond the random-phase approximation (RPA), by calculating the vertex correction (VC) and self-energy correction. Due to the spin+orbital mode coupling described by the VC, both orbital and spin fluctuations mutually develop, consistently with the experimental phase diagram with the orbital and magnetic orders. Due to both fluctuations, the s-wave gap function with sign-reversal ($s_{\pm}$-wave), without sign-reversal ($s_{++}$-wa…
In iron pnictides, high temperature superconductivity emerges after suppressing antiferromagnetism by doping. Here we show that antiferromagnetism in Ca$_{1-x}$La$_x$FeAs$_2$ is robust against and even enhanced by doping. Using $^{75}$As-nuclear magnetic resonance and nuclear quadrupole resonance techniques, we find that an antiferromagnetic order occurs below the Néel temperature $T_{\rm N}$ = 62 K at a high doping concentration ($x$ = 0.15) where superconductivity sets in at the transition temperature $T_{\rm c}$ = 35 K. Unexpectedly, $T_{\rm N}$ is enhanced with increasing doping, rising up…
Considering model Hamiltonians that respect the symmetry properties of the pnictides, it is argued that pairing interactions that couple electrons at different orbitals with an orbital-dependent pairing strength inevitably lead to interband pairing matrix elements, at least in some regions of the Brillouin zone. Such interband pairing has not been considered of relevance in multiorbital systems in previous investigations. It is also observed that if, instead, a purely intraband pairing interaction is postulated, this requires that the pairing operator has the form $Δ^+(k)=f(k) \sum_α d^+_{k,α,…
The Ru doping effect on the Dirac cone states is investigated in iron pnictide superconductors Ba(Fe$_{1-x}$Ru$_x$As)$_2$ using the transverse magnetoresistance (MR) measurements as a function of temperature. The linear development of MR against magnetic field $B$ is observed for $x$ = 0 - 0.244 at low temperatures below the antiferromagnetic transition. The $B$-linear MR is interpreted in terms of the quantum limit of the Dirac cone states by using the model proposed by Abrikosov. An intriguing evidence is shown that the Dirac cone state persists on the electronic phase diagram where the anti…
We investigate the pairing in iron pnictides in the coexistence phase, which displays both superconducting and antiferromagnetic orders. By solving the pairing problem on the Fermi surface reconstructed by long-range magnetic order, we find that the pairing interaction necessarily becomes angle-dependent, even if it was isotropic in the paramagnetic phase, which results in an angular variation of the superconducting gap along the Fermi surfaces. We find that the gap has no nodes for a small antiferromagnetic order parameter M, but may develop accidental nodes for intermediate values of M, when…
We have performed an angle-resolved photoemission spectroscopy (ARPES) study of the undoped and electron-doped iron pnictides BaFe2\_{-x}CoxAs2 (Ba122) (x=0, 0.14) and studied the Fermi surfaces (FSs) and band dispersions near the Fermi level. The FS sheets we observed are consistent with the shrinkage of the hole-like pockets around the Brillouin Zone (BZ) center and the expansion of the electron pockets around the BZ corner in the electron-doped compound as compared to the undoped parent compound. Band dispersions and FSs around the BZ center strongly depend on the photon energy, indicating …
We analyze the effect of weak disorder on the competition between antiferromagnetic order and superconductivity in a model for iron-based superconductors. Under the assumption of an approximate particle-hole symmetry we show that conventional $s^{++}$ superconductivity cannot be realized in the case of coexisting magnetic and superconductive orders, observed experimentally at intermediate doping levels. This result holds for arbitrary impurity concentrations, and, in particular, in the clean limit. The inclusion of disorder further amplifies the phase competition between itinerant antiferromag…
We report a Fe Kβx-ray emission spectroscopy study of local magnetic moments in the rare-earth doped iron pnictide Ca_{1-x}RE_xFe_2As_2 (RE=La, Pr, and Nd). In all samples studied the size of the Fe local moment is found to decrease significantly with temperature and goes from ~0.9 μ_B at T = 300 K to ~0.45 μ_B at T = 70 K. In the collapsed tetragonal (cT) phase of Nd- and Pr-doped samples (T<70K) the local moment is quenched, while the moment remains unchanged for the La-doped sample, which does not show lattice collapse. Our results show that Ca_{1-x}RE_xFe_2As_2 (RE= Pr and Nd) exhibits a s…
We study a two-orbital spin model to describe (pi,0) stripe antiferromagnetism in the iron pnictides. The "double-spin" model has an on-site Hunds's coupling and inter-site interactions extending to second neighbors (inter- and intra-orbital) on the square lattice. Using a variational method based on a cluster decomposition, we optimize wave functions with up to 8 cluster sites (up to 2^16 variational parameters). We focus on the anomalously small ordered moments in the stripe state of the pnictides. To account for it, and large variations among different compounds, we show that the second-nei…
The main features in iron-pnictide superconductors are summarized as (i) the orthorhombic transition accompanied by remarkable softening of shear modulus, (ii) high-Tc superconductivity close to the orthorhombic phase, and (iii) stripe-type magnetic order induced by orthorhombicity. To present a unified explanation for them, we analyze the multiorbital Hubbard-Holstein model with Fe-ion optical phonons based on the orbital fluctuation theory. In the random-phase-approximation (RPA), a small electron-phonon coupling constant ($λ~ 0.2$) is enough to produce large orbital (=charge quadrupole) flu…
Recent experiments on Zn-doped 122-type iron pnictides, Ba(Fe$_{1-x-y}$Co$_y$Zn$_x$)$_2$As$_2$, are challenging our understanding of electron doping the 122s and the interplay between doping and impurity scattering. To resolve this enigma, we investigate the disorder effects of nonmagnetic Zn impurities in the strong (unitary) scattering limit on various properties of the system in the $s_{\pm}$-wave superconducting pairing state. The lattice Bogoliubov-de Gennes equation (BdG) is solved self-consistently based on a minimal two-orbital model with an extended range of impurity concentrations. W…
Undoped iron superconductors accommodate $n=6$ electrons in five d-orbitals. Experimental and theoretical evidence shows that the strength of correlations increases with hole-doping, as the electronic filling approaches half-filling with $n=5$ electrons. This evidence delineates a scenario in which the parent compound of iron superconductors is the half-filled system, in analogy to cuprate superconductors. In cuprates the superconductivity can be induced upon electron or hole doping. In this work we propose to search for high-Tc superconductivity and strong correlations in chromium pnictides a…
The close interplay between superconductivity and antiferromagnetism in several quantum materials can lead to the appearance of an unusual thermodynamic state in which both orders coexist microscopically, despite their competing nature. A hallmark of this coexistence state is the emergence of a spin-triplet superconducting gap component, called $π$-triplet, which is spatially modulated by the antiferromagnetic wave-vector, reminiscent of a pair-density wave. In this paper, we investigate the impact of these $π$-triplet degrees of freedom on the phase diagram of a system with competing antiferr…
We constructed an effective tight-binding model with five Cr $3d$ orbitals for LaOCrAs according to first-principles calculations. Basing on this model, we investigated possible superconductivity induced by correlations in doped LaOCrAs using the functional renormalization group (FRG). We find that there are two domes of superconductivity in electron-doped LaOCrAs. With increasing electron doping, the ground state of the system evolves from G-type antiferromagnetism in the parent compound to an incipient $s_\pm$-wave superconducting phase dominated by electron bands derived from the $d_{3z^2-r…
We report elastic neutron scattering and transport measurements on the Ni and Cr equivalently doped iron pnictide BaFe$_{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…
Like high Tc cuprates, the newly discovered iron based superconductors lie in close proximity to a magnetically ordered parent phase. However, while the magnetic order in parent cuprates is known to derive from a spin-spin local superexchange interaction, a plethora of experiments including neutron scattering have so far been unable to conclusively resolve whether a local moment Heisenberg description applies in parent iron based compounds, or whether magnetism arises from a collective SDW order instability. These two alternatives can in principle be distinguished by measuring the low energy m…
The pairing mechanism and gap structure in Ba122 pnictides have been hotly discussed for long time as one of the central issues in Fe-based superconductors. Here, we attack this problem by taking account of the vertex corrections (VCs) for the Coulomb interaction $U$ ($U$-VCs), which are totally dropped in conventional Migdal-Eliashberg formalism. The $U$-VC in the charge susceptibility induces strong orbital fluctuations, and the $U$-VC also enlarges the orbital-fluctuation-mediated attractive interaction. By analyzing the effective multiorbital Hubbard model for Ba122 pnictides, we find that…
Motivated by the recent angle-resolved photoemission spectroscopy (ARPES) on FeSe and iron pnictide families of iron-based superconductors, we have studied the orbital nematic order and its interplay with antiferromagnetism within the two-orbital Hubbard model. We used random phase approximation (RPA) to calculate the dependence of the orbital and magnetic susceptibilities on the strength of interactions and electron density (doping). To account for strong electron correlations not captured by RPA, we further employed non-perturbative variational cluster approximation (VCA) capable of capturin…
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, …
Using the Density Matrix Renormalization Group and two-leg ladders, we investigate an electronic two-orbital Hubbard model including plaquette diagonal hopping amplitudes. Our goal is to search for regimes where charges added to the undoped state form pairs, presumably a precursor of a superconducting state.For the electronic density $ρ=2$, i.e. the undoped limit, our investigations show a robust $(π,0)$ antiferromagnetic ground state, as in previous investigations. Doping away from $ρ=2$ and for large values of the Hund coupling $J$, a ferromagnetic region is found to be stable. Moreover, whe…
Neutron diffraction measurements are presented measuring the responses of both magnetic and structural order parameters of parent and lightly Co-doped Ba(Fe{1-x}Co{x})2As2 under the application of uniaxial pressure. We find that the uniaxial pressure induces a thermal shift in the onset of antiferromagnetic order that grows as a percentage of T_N as Co-doping is increased and the superconducting phase is approached. Additionally, as uniaxial pressure is increased within parent and lightly-doped Ba(Fe{1-x}Co{x})2As2 on the first order side of the tricritical point, we observe a decoupling betwe…
The bad metal behavior in the normal state of the iron-based superconductors suggests an intimate connection between the superconductivity and a proximity to a Mott transition. At the same time, there is strong evidence for the multi-orbital nature of the electronic excitations. It is then important to understand the orbital-dependent effects of electron correlations. In this paper we review the recent theoretical progresses on the metal-to-insulator transition in multiorbital models for the iron-based superconductors. These include studies of models that contain at least the 3d xy and 3d xz/y…
