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Supplementary material to Heavy electrons and the symplectic symmetry of spin

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 Added by Piers Coleman
 Publication date 2008
  fields Physics
and research's language is English




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This online material provides the technical detail for ``Heavy electrons and the symplectic symmetry of spin,(arXiv 0710.1122). Three parts. Part I - symplectic spins, their properties and gauge symmetries. Part II - derivation of two-chanel model for tetragonal heavy electron systems with the view to application to PuCoGa5 and NpPd_5Al_2, symplectic-N mean field theory and computation of NMR relaxation rate. Part III - brief discussion of the application to frustrated magnetism in the J1-J2 model, mainly used to test the method.



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The recent discovery of two heavy fermion materials PuCoGa_{5} and NpPd_{5}Al_{2} which transform directly from Curie paramagnets into superconductors, reveals a new class of superconductor where local moments quench directly into a superconducting condensate. A powerful tool in the description of heavy fermion metals is the large N expansion, which expands the physics in powers of 1/N about a solvable limit where particles carry a large number (N) of spin components. As it stands, this method is unable to jointly describe the spin quenching and superconductivity which develop in PuCoGa_{5} and NpPd_{5}Al_{2}. Here, we solve this problem with a new class of large N expansion that employs the symplectic symmetry of spin to protect the odd time-reversal parity of spin and sustain Cooper pairs as well-defined singlets. With this method we show that when a lattice of magnetic ions exchange spin with their metallic environment in two distinct symmetry channels, they are able to simultaneously satisfy both channels by forming a condensate of composite pairs between between local moments and electrons. In the tetragonal crystalline environment relevant to PuCoGa_{5} and NpPd_{5}Al_{2} the lattice structure selects a natural pair of spin exchange channels, giving rise to the prediction of a unique anisotropic paired state with g-wave symmetry. This pairing mechanism predicts a large upturn in the NMR relaxation rate above T_{c}, a strong enhancement of Andreev reflection in tunneling measurements and an enhanced superconducting transition temperature T_{c} in Pu doped Np_{1-x}Pu_{x}Pd_{5}Al_{2}.
We present a detailed quantum oscillation study of the Fermi surface of the recently discovered Yb-based heavy fermion superconductor beta-YbAlB4 . We compare the data, obtained at fields from 10 to 45 Tesla, to band structure calculations performed using the local density approximation. Analysis of the data suggests that f-holes participate in the Fermi surface up to the highest magnetic fields studied. We comment on the significance of these findings for the unconventional superconducting properties of this material.
Understanding the complexities of electronic and magnetic ground states in solids is one of the main goals of solid-state physics. Materials with the canonical ThCr$_2$Si$_2$-type structure have proved particularly fruitful in this regards, as they exhibit a wide range of technologically advantageous physical properties described by many-body physics, including high-temperature superconductivity and heavy fermion behavior. Here, using high-resolution synchrotron X-ray diffraction and time-of-flight neutron scattering, we show that the isostructural mixed valence compound, KNi$_2$S$_2$, displays a number of highly unusual structural transitions, most notably the presence of charge density wave fluctuations that disappear on cooling. This behavior occurs without magnetic or charge order, in contrast to expectations based on all other known materials. Furthermore, the low-temperature electronic state of KNi$_2$S$_2$ is found to exhibit many characteristics of heavy-fermion behavior, including a heavy electron state ($m^*/m_e sim$ 24), with a negative coefficient of thermal expansion, and superconductivity below $T_c$ = 0.46(2) K. In the potassium nickel sulfide, these behaviors arise in the absence of localized magnetism, and instead appear to originate in proximity to charge order.
Numerical simulations of strongly correlated electron systems suffer from the notorious fermion sign problem which has prevented progress in understanding if systems like the Hubbard model display high-temperature superconductivity. Here we show how the fermion sign problem can be solved completely with meron-cluster methods in a large class of models of strongly correlated electron systems, some of which are in the extended Hubbard model family and show s-wave superconductivity. In these models we also find that on-site repulsion can even coexist with a weak chemical potential without introducing sign problems. We argue that since these models can be simulated efficiently using cluster algorithms they are ideal for studying many of the interesting phenomena in strongly correlated electron systems.
In this supplementary material, we investigate further the impurity-induced freezing mechanism in a doped system of 3D weakly coupled ladders resembling Bi(Cu$_{1-x}$Zn$_x$)$_2$ZnPO$_6$ using large scale Quantum Monte Carlo simulations.
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