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Register a new userCaFe2As2: a Springboard to Investigating Fe-Pnictide Superconductivity
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We present detailed electronic structure calculations for CaFe2As2. We investigate in particular the `collapsed tetragonal and orthorhombic regions of the temperature-pressure phase diagram and find properties that distinguish CaFe2As2 from other Fe-pnictide compounds. In contrast to the tetragonal phase of other Fe-pnictides the electronic structure in the `collapsed tetragonal phase of CaFe2As2 is found to be strongly 3D. We discuss the influence of these properties on the formation of superconductivity and in particular we find evidence that both magnetic and lattice interactions may be important to the formation of superconductivity. We also find that the Local Spin Density Approximation is able to accurately predict the ordering moment in the low temperature orthorhombic phase.
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The interplay between the structural and magnetic phase transitions occurring in the Fe-based pnictide superconductors is studied within a Ginzburg-Landau approach. We show that the magnetoelastic coupling between the corresponding order parameters is behind the salient features observed in the phase diagram of these systems. This naturally explains the coincidence of transition temperatures observed in some cases as well as the character (first or second-order) of the transitions. We also show that magnetoelastic coupling is the key ingredient determining the collinearity of the magnetic ordering, and we propose an experimental criterion to distinguish between a pure elastic from a spin-nematic-driven structural transition.
A two-orbital model for Fe-pnictide superconductors is investigated using computational techniques on two-dimensional square clusters. The hopping amplitudes are derived from orbital overlap integrals, or by band structure fits, and the spin frustrating effect of the plaquette-diagonal Fe-Fe hopping is remarked. A spin striped state is stable in a broad range of couplings in the undoped regime, in agreement with neutron scattering. Adding two electrons to the undoped ground state of a small cluster, the dominant pairing operators are found. Depending on parameters, two pairing operators were identified: they involve inter-xz-yz orbital combinations forming spin singlets or triplets, transforming according to the B_2g and A_2g representations of the D_4h group, respectively.
It was recently suggested that the topology of magic-angle twisted bilayer graphenes (MATBG) flat bands could provide a novel mechanism for superconductivity distinct from both weakly-coupled BCS theory and the $d$-wave phenomenology of the high-$T_c$ cuprates. In this work, we examine this possibility using a density matrix renormalization group (DMRG) study of a model which captures the essential features of MATBGs symmetry and topology. Using large scale cylinder-DMRG calculations to obtain the ground state and its excitations as a function of the electron doping, we find clear evidence for superconductivity driven by the binding of electrons into charge-$2e$ skyrmions. Remarkably, this binding is observed even in the regime where the unscreened Coulomb repulsion is by-far the largest energy scale, demonstrating the robustness of this topological, all-electronic pairing mechanism.
The interplay of high and low-energy mass renormalizations with band-shifts reflected by the positions of van Hove singularities (VHS) in the normal state spectra of the highest hole-overdoped and strongly correlated AFe$_2$As$_2$ (A122) with A = K, Cs is discussed phenomenologically based on ARPES data and GGA band-structure calculations with full spin-orbit coupling. The big increase of the Sommerfeld coefficient $gamma$ from K122 to Cs122 is ascribed to an enhanced coupling to low-energy bosons in the vicinity of a quantum critical point to an unknown, yet incommensurate phase different from the commensurate Mott one. We find no sizeable increase in correlations for Cs122 in contrast to F. Eilers et al., PRL v. 116, 237003 (2016) [3]. The empirical (ARPES) VHS positions as compared with GGA-predictions point even to slightly weaker correlations in Cs122 in accord with low-$T$ magnetic susceptibility $chi(T)$ data and a decreasing Wilson ratio $propto chi(0)/gamma$.
Motivated by the close correlation between transition temperature ($T_c$) and the tetrahedral bond angle of the As-Fe-As layer observed in the iron-based superconductors, we study the interplay between spin and orbital physics of an isolated iron-arsenide tetrahedron embedded in a metallic environment. Whereas the spin Kondo effect is suppressed to low temperatures by Hunds coupling, the orbital degrees of freedom are expected to quantum mechanically quench at high temperatures, giving rise to an overscreened, non-Fermi liquid ground-state. Translated into a dense environment, this critical state may play an important role in the superconductivity of these materials.
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