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Register a new userQuantum magnetism of iron-based ladders: Blocks, spirals, and spin flux
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Added by
Maksymilian \\'Sroda
Publication date
2021
fields
Physics
and research's language is
English
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Motivated by increasing experimental evidence of exotic magnetism in low-dimensional iron-based materials, we present a comprehensive theoretical analysis of magnetic states of the multiorbital Hubbard ladder in the orbital-selective Mott phase (OSMP). The model we used is relevant for iron-based compounds of the AFe$_2$X$_3$ family (where A${}={}$Cs, Rb, Ba, K are alkali metals and X${}={}$S, Se are chalcogenides). To reduce computational effort, and obtain almost exact numerical results in the ladder geometry, we utilize a low-energy description of the Hubbard model in the OSMP - the generalized Kondo-Heisenberg Hamiltonian. Our main result is the doping vs interaction magnetic phase diagram. We reproduce the experimental findings on the AFe$_2$X$_3$ materials, especially the exotic block magnetism of BaFe$_2$Se$_3$ (antiferromagnetically coupled $2times 2$ ferromagnetic islands of the $uparrowuparrowdownarrowdownarrow$ form). As in recent studies of the chain geometry, we also unveil block magnetism beyond the $2 times 2$ pattern (with block sizes varying as a function of the electron doping) and also an interaction-induced frustrated block-spiral state (a spiral order of rigidly rotating ferromagnetic islands). Moreover, we predict new phases beyond the one-dimensional system: a robust regime of phase separation close to half-filling, incommensurate antiferromagnetism for weak interaction, and a quantum spin-flux phase of staggered plaquette spin currents at intermediate doping. Finally, exploiting the bonding/antibonding band occupations, we provide an intuitive physical picture giving insight into the structure of the phase diagram.
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We present the results of muon-spin spectroscopy ($mu^{+}$SR) measurements on the molecular spin ladder system (Hpip)$_{2}$CuBr$_{4(1-x)}$Cl$_{4x}$, [Hpip=(C$_{5}$H$_{12}$N)]. Using transverse field $mu^{+}$SR we are able to identify characteristic behaviour in each of the regions of the phase diagram of the $x=0$ strong-rung spin ladder system (Hpip)$_{2}$CuBr$_4$. Comparison of our results to those of the dimer-based molecular magnet Cu(pyz)(gly)(ClO$_{4}$) shows several common features. We locate the crossovers in partially disordered (Hpip)$_{2}$CuBr$_{4(1-x)}$Cl$_{4x}$ ($x=0.05$), where a region of behaviour intermediate between quantum disordered and Luttinger liquid-like is identified. Our interpretation of the results incorporates an analysis of the probable muon stopping states in (Hpip)$_{2}$CuBr$_4$ based on density functional calculations and suggests how the muon plus its local distortion can lead to a local probe unit with good sensitivity to the magnetic state. Using longitudinal field $mu^{+}$SR we compare the dynamic response of the $x=1$ strong-rung material (Hpip)$_{2}$CuCl$_{4}$ to that of the strong-leg material (C$_{7}$H$_{10}$N)$_{2}$CuBr$_{4}$ (known as DIMPY) and demonstrate that our results are in agreement with predictions based on interacting fermionic quasiparticle excitations in these materials.
Motivated by recent experimental progress on iron-based ladder compounds, we study the doped two-orbital Hubbard model for the two-leg ladder BaFe$_2$S$_3$. The model is constructed by using {it ab initio} hopping parameters and the ground state properties are investigated using the density matrix renormalization group method. We show that the $(pi,0)$ magnetic ordering at half-filling, with ferromagnetic rungs and antiferromagnetic legs, becomes incommensurate upon hole doping. Moreover, depending on the strength of the Hubbard $U$ coupling, other magnetic patterns, such as $(0,pi)$, are also stabilized. We found that the binding energy for two holes becomes negative for intermediate Hubbard interaction strength, indicating hole pairing. Due to the crystal-field split among orbitals, the holes primarily reside in one orbital, with the other one remaining half-filled. This resembles orbital selective Mott states. The formation of tight hole pairs continues with increasing hole density, as long as the magnetic order remains antiferromagnetic in one direction. The study of pair-pair correlations indicates the dominance of the intra-orbital spin-singlet channel, as opposed to other pairing channels. Although in a range of hole doping pairing correlations decay slowly, our results can also be interpreted as corresponding to a charge-density-wave made of pairs, a precursor of eventual superconductivity after interladder couplings are included. Such scenario of intertwined orders has been extensively discussed before in the cuprates, and our results suggest a similar physics could exist in ladder iron-based superconductors. Finally, we also show that a robust Hunds coupling is needed for pairing to occur.
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 Hundss 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-neighbor cross-orbital exchange constant should be ferromagnetic, which leads to partially hidden stripe order, with a moment that can be varied over a large range by small changes in the coupling constants. In a different parameter region, we confirm the existence of a canted state previously found in spin-wave theory. We also identify several other phases of the model.
Magnetic insulators have proven to be usable as quantum simulators for itinerant interacting quantum systems. In particular the compound (C$_{5}$H$_{12}$N)$_{2}$CuBr$_{4}$ (short (Hpip)$_{2}$CuBr$_{4}$) was shown to be a remarkable realization of a Tomonaga-Luttinger liquid (TLL) and allowed to quantitatively test the TLL theory. Substitution weakly disorders this class of compounds and allows thus to use them to tackle questions pertaining to the effect of disorder in TLL as well, such as the formation of the Bose glass. As a first step in this direction we present in this paper a study of the properties of the related (Hpip)$_{2}$CuCl$_{4}$ compound. We determine the exchange couplings and compute the temperature and magnetic field dependence of the specific heat, using a finite temperature Density Matrix Renormalization group (DMRG) procedure. Comparison with the measured specific heat at zero magnetic field confirms the exchange parameters and Hamiltonian for the (Hpip)$_{2}$CuCl$_{4}$ compound, giving the basis needed to start studying the disorder effects.
Magnetism in the insulating BaFe$_2$Se$_3$ was examined through susceptibility, specific heat, resistivity and neutron diffraction measurements. After formation of a short-range magnetic correlation, a long-range ordering was observed below $T_{rm N}sim 255$ K. The transition is obscured by bulk properties. Magnetic moments ($parallel a$) are arranged to form a Fe$_4$ ferromagnetic unit, and each Fe$_4$ stacks antiferromagnetically. This block magnetism is of the third type among magnetic structures of ferrous materials. The magnetic ordering drives unusually large distortion via magnetoelastic coupling.
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