Monte Carlo Study of the S=1/2 and S=1 Heisenberg Antiferromagnet on a Spatially Anisotropic Square Lattice

We present a quantum Monte Carlo study of a Heisenberg antiferromagnet on a spatially anisotropic square lattice, where the coupling strength in the x-direction ($J_x$) is different from that in the y-direction ($J_y$). By varying the anisotropy $\alpha$ from 0 to 1, we interpolate between the one-dimensional chain and the two-dimensional isotropic square lattice. Both $S=1/2$ and S=1 systems are considered separately in order to facilitate comparison. The temperature dependence of the uniform susceptibility and the spin-spin correlation length are computed down to very low temperatures for various values of $\alpha$. For S=1, the existence of a quantum critical point at $\alpha^{S=1}_c=0.040(5)$ as well as the scaling of the spin gap is confirmed. Universal quantities predicted from the ${\cal O}(3)$ nonlinear $\sigma$ model agree with our results at $\alpha=0.04$ without any adjustable parameters. On the other hand, the $S=1/2$ results are consistent with $\alpha^{S=1/2}_c=0$, as discussed by a number of previous theoretical studies. Experimental implications for $S=1/2$ compounds such as Sr$_2$CuO$_3$ are also discussed.Comment: 8 pages, 7 figures, to be published in Phys. Rev.

<i>d</i>-wave superconductivity from electron-phonon interactions

I examine electron-phonon mediated superconductivity in the intermediate coupling and phonon frequency regime of the quasi-two-dimensional Holstein model. I use an extended Migdal-Eliashberg theory that includes vertex corrections and spatial fluctuations. I find a d-wave superconducting state that is unique close to half filling. The order parameter undergoes a transition to s-wave superconductivity on increasing filling. I explain how the inclusion of both vertex corrections and spatial fluctuations is essential for the prediction of a d-wave order parameter. I then discuss the effects of a large Coulomb pseudopotential on the superconductivity (such as is found in contemporary superconducting materials like the cuprates), which results in the destruction of the s-wave states, while leaving the d-wave states unmodified

Specific heat of Ba0.59_{0.59}K0.41_{0.41}Fe2_{2}As2_{2}, and a new method for identifying the electron contribution: two electron bands with different energy gaps in the superconducting state

We report measurements of the specific heat of Ba$_{0.59}$K$_{0.41}$Fe$_{2}$As$_{2}$, an Fe-pnictide superconductor with $T_c$ = 36.9 K, for which there are suggestions of an unusual electron pairing mechanism. We use a new method of analysis of the data to derive the parameters characteristic of the electron contribution. It is based on comparisons of ${\alpha}$-model expressions for the electron contribution with the total measured specific heat, which give the electron contribution directly. It obviates the need in the conventional analyses for an independent, necessarily approximate, determination of the lattice contribution, which is subtracted from the total specific heat to obtain the electron contribution. It eliminates the uncertainties and errors in the electron contribution that follow from the approximations in the determination of the lattice contribution. Our values of the parameters characteristic of the electron contribution differ significantly from those obtained in conventional analyses of specific-heat data for five similar hole-doped BaFe$_{2}$As$_{2}$ superconductors, which also differ significantly among themselves. They show that the electron density of states is comprised of contributions from two electron bands with superconducting-state energy gaps that differ by a factor 3.8, with 77$\%$ coming from the band with the larger gap. The variation of the specific heat with magnetic field is consistent with extended $s$-wave pairing, one of the theoretical predictions. The relation between the densities of states and the energy gaps in the two bands is not consistent with a theoretical model based on interband interactions alone. Comparison of the normal-state density of states with band-structure calculations shows an extraordinarily large effective mass enhancement, for which there is no precedent in similar materials and no theoretical explanation.Comment: 30 pages, 7 figures, submitte

Interplay between magnetism and superconductivity in iron-chalcogenide superconductors: crystal growth and characterizations

In this review, we present a summary of the results on single crystal growth of two types of iron-chalcogenide superconductors, Fe(1+y)Te(1-x)Se(x) (11), and A(x)Fe(2-y)Se(2) (A= K, Rb, Cs, Tl, Tl/K, Tl/Rb), using Bridgman, zone-melting, vapor self-transport, and flux techniques. The superconducting and magnetic properties (the latter gained mainly from neutron scattering measurements) of these materials are reviewed to demonstrate the connection between magnetism and superconductivity. It will be shown that for the 11 system, while static magnetic order around the reciprocal lattice position (0.5, 0) competes with superconductivity, spin excitations centered around (0.5, 0.5) are closely coupled to the materials' superconductivity; this is made evident by the strong correlation between the spectral weight around (0.5, 0.5) and the superconducting volume fraction. The observation of a spin resonance below the superconducting temperature, Tc, and the magnetic-field dependence of the resonance, emphasize the important role spin excitations play in the superconductivity. Generally, these results illustrate the similarities between the iron-based and cuprate superconductors. In A(x)Fe(2-y)Se(2), superconductivity with Tc ~ 30 K borders an antiferromagnetic insulating phase; this is closer to the behavior observed in the cuprates but differs from that in other iron-based superconductors.Comment: A review article to appear in a special issue of ROP

Monte Carlo Study of Correlations in Quantum Spin Chains at Non-Zero Temperature

Antiferromagnetic Heisenberg spin chains with various spin values ($S=1/2,1,3/2,2,5/2$) are studied numerically with the quantum Monte Carlo method. Effective spin $S$ chains are realized by ferromagnetically coupling $n=2S$ antiferromagnetic spin chains with $S=1/2$. The temperature dependence of the uniform susceptibility, the staggered susceptibility, and the static structure factor peak intensity are computed down to very low temperatures, $T/J \approx 0.01$. The correlation length at each temperature is deduced from numerical measurements of the instantaneous spin-spin correlation function. At high temperatures, very good agreement with exact results for the classical spin chain is obtained independent of the value of $S$. For $S$=2 chains which have a gap $\Delta$, the correlation length and the uniform susceptibility in the temperature range $\Delta < T < J$ are well predicted by a semi-classical theory due to Damle and Sachdev.Comment: LaTeX EPJ macr

First and second order magnetic and structural transitions in BaFe2(1−x)_{2(1-x)}Co2x_{2x}As2_{2}

We present here high resolution magnetization measurements on high-quality BaFe$_{2(1-x)}$Co$_{2x}$As$_{2}$, 0$\leq$x$\leq$0.046 as-grown single crystals. The results confirm the existence of a magnetic tricritical point in the ($x$,$T$) plane at x$^{m}_{tr}$$\approx$0.022 and reveal the emergence of the heat capacity anomaly associated with the onset of the structural transition at x$^{s}$$\approx$0.0064. We show that the samples with doping near x$^{m}_{tr}$ do not show superconductivity, but rather superconductivity emerges at a slightly higher cobalt doping, x$\approx$0.0315Comment: 4 pages, 5 figure

Neutron-Diffraction Measurements of an Antiferromagnetic Semiconducting Phase in the Vicinity of the High-Temperature Superconducting State of Kx_xFe2−y_{2-y}Se2_2

The recently discovered K-Fe-Se high temperature superconductor has caused heated debate regarding the nature of its parent compound. Transport, angle-resolved photoemission spectroscopy, and STM measurements have suggested that its parent compound could be insulating, semiconducting or even metallic [M. H. Fang, H.-D. Wang, C.-H. Dong, Z.-J. Li, C.-M. Feng, J. Chen, and H. Q. Yuan, Europhys. Lett. 94, 27009 (2011); F. Chen et al. Phys. Rev. X 1, 021020 (2011); and W. Li et al.,Phys. Rev. Lett. 109, 057003 (2012)]. Because the magnetic ground states associated with these different phases have not yet been identified and the relationship between magnetism and superconductivity is not fully understood, the real parent compound of this system remains elusive. Here, we report neutron-diffraction experiments that reveal a semiconducting antiferromagnetic (AFM) phase with rhombus iron vacancy order. The magnetic order of the semiconducting phase is the same as the stripe AFM order of the iron pnictide parent compounds. Moreover, while the root5*root5 block AFM phase coexists with superconductivity, the stripe AFM order is suppressed by it. This leads us to conjecture that the new semiconducting magnetic ordered phase is the true parent phase of this superconductor.Comment: 1 table, 4 figures,5 page

Quantum Fluctuations in the Frustrated Antiferromagnet Sr_2Cu_3O_4Cl_2

Sr_2Cu_3O_4Cl_2 is an antiferromagnet consisting of weakly coupled CuO planes which comprise two weakly interacting antiferromagnetic subsystems, I and II, which order at respective temperatures T_I \approx 390K and T_{II} \approx 40K. Except asymptotically near the ordering temperature, these systems are good representations of the two-dimensional quantum spin 1/2 Heisenberg model. For T< T_{II} there are four low-energy modes at zero wave vector, three of whose energies are dominated by quantum fluctuations. For T_{II} < T < T_I there are two low energy modes. The mode with lower energy is dominated by quantum fluctuations. Our calculations of the energies of these modes (including dispersion for wave vectors perpendicular to the CuO planes) agree extremely well with the experimental results of inelastic neutron scattering (in the accompanying paper) and for modes in the sub meV range observed by electron spin resonance. The parameters needed to describe quantum fluctuations are either calculated here or are taken from the literature. These results show that we have a reasonable qualitative understanding of the band structure of the lamellar cuprates needed to calculate the anisotropic exchange constants used here.Comment: 84 pages, 7 figure

Neutron Scattering and magnetization studies of Ba2_2Cu2.95_{2.95}Co0.05_{0.05}O4_4Cl2_2: A decorated two-dimensional antiferromagnet

Ba$_2$Cu$_3$O$_4$Cl$_2$ has two inter-penetrating square Cu sublattices, one with square root 2 times the in-plane spacing of the other. Isotropic magnetic interactions between the two sublattices are completely frustrated. Quantum fluctuations resolve the intrinsic degeneracy in the ordering direction of the more weakly coupled sublattice in favor of collinear ordering. We present neutron scattering and magnetization studies of the magnetic structure when the Cu ions are substituted with Co. The Co spins create new magnetic interactions between the two sublattices. The ordering behavior of both Cu sublattices is retained largely unmodified. Between the phase transitions of the two sublattices spin-glass behavior is observed. Magnetization results show a strong enhancement to the ferromagnetic aspect of the magnetic structure. The combination of glassy behavior and large moments strongly suggest that the Co moments induce the formation of local canted states.Comment: 4 figure