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Register a new userDerivation of RKKY Interaction between Multipole Moments in CeB$_6$ by the Effective Wannier Model based on the Bandstructure Calculation
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We have investigated the electronic states of CeB$_6$ and have directly calculated the RKKY interaction on the basis of the 74-orbital effective Wannier model which includes 14 Ce-$f$ orbitals and 60 conduction ($c$) orbitals of Ce-$d,s$ and B-$p,s$ derived from the density-functional theory bandstructure calculation. By using not only the $c$-band dispersion but also the $f$-$c$ mixing matrix elements of the Wannier model, the realistic couplings for all 15 active multipole moments in $Gamma_8$ quartet subspace are obtained in the wavevector $q$-space and real-space. Both of the $Gamma_{5g}$ quadrupoles $(O_{yz},O_{zx},O_{xy})$ and the $Gamma_{2u}$ octupole $T_{xyz}$ couplings are maximally enhanced with $q=(pi,pi,pi)$ which naturally explains the phase II of the antiferro-quadrupolar ordering at $T_{Q}=3.2$ K, and are also enhanced with $q=(0,0,0)$ corresponding to the elastic softening of $C_{44}$. Also the couplings of the $Gamma_{5u}$ octupoles $T_{x}^{beta}$, $T_{y}^{beta}$ and $T_{z}^{beta}$ are quite large for $q=(pi,0,0)$, $(0,pi,0)$ and $(0,0,pi)$, which yields the antiferro-octupolar ordering of a possible candidate for phase IV of Ce$_{x}$La$_{1-x}$B$_6$. The intersite vector dependence of the RKKY couplings exhibit different long-range, oscillating, isotropic and anisotropic behaviors depending on the types of the multipole moments. The present approach enables us to provide the information about the possible multipole ordering in an unbiased way and is easily available for other localized $f$ electron materials once the $c$ states and $f$-$c$ mixing elements are given from the bandstructure calculation.
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We examine the RKKY interactions of CeB$_6$ between multipole moments based on the effective Wannier model obtained from the bandstructure calculation including 14 Ce-$f$ orbitals and 60 conduction orbitals of Ce-$d,s$ and B-$p,s$. By using the $f$-$c$ mixing matrix elements of the Wannier model together with the conduction band dispersion, the multipole couplings with the RKKY oscillation are obtained for the active moments in $Gamma_{8}$ subspace. Both of the $Gamma_{5g}$ quadrupole $O_{xy}$ and the $Gamma_{2u}$ octupole $T_{xyz}$ couplings are largely enhanced with $bm{q}=(pi,pi,pi)$ which naturally explains the antiferro-quadrupolar phase of the phase II, and are also enhanced with $bm{q}=(0,0,0)$ corresponding to the elastic softening of $C_{44}$. Also the couplings of the $Gamma_{5u}$ octupole $T_{z}^{beta}$ is quite large for $bm{q}=(0,0,pi)$ which is related to the antiferro-octupolar ordering of a possible candidate for the phase IV of Ce$_{x}$La$_{1-x}$B$_6$.
We describe a two-orbital tight-binding model with bases belonging to the $Gamma_8$ quartet. The model captures several characteristics of the Fermiology unravelled by the recent angle-resolved photoemission spectroscopic (ARPES) measurements on cerium hexaboride CeB$_6$ samples cleaved along different high-symmetry crystallographic directions, which includes the ellipsoid-like Fermi surfaces (FSs) with major axes directed along $Gamma$-X. We calculate various multipolar susceptibilities within the model and identify the susceptibility that shows the strongest divergence in the presence of standard onsite Coulomb interactions and discuss its possible implication and relevance with regard to the signature of strong ferromagnetic correlations existent in various phases as shown by the recent experiments.
Electronic states and quadrupole orders in the 1-2-20 systems Pr$T_{2}$Al$_{20}$ ($T$=Ti, V) are investigated on the basis of the first-principles band calculation. As the de Haas-van Alphen experiments reveal that the Pr-4$f$ electrons in the systems are sufficiently localized and irrelevant for the Fermi surface, we derive the low-energy effective tight-binding models consists of 196 orbitals of conduction electrons so as to reproduce the first-principles electronic structures of La$T_{2}$Al$_{20}$ ($T$=Ti, V) without contribution from the 4$f$ electrons. Based on the effective models, we calculate the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between the quadrupole moments of the Pr ions mediated by the conduction electrons. The obtained results indicate that the wave vector of the expected quadrupole order is ${bm{Q}}=left(0,0,0right)$ for PrTi$_{2}$Al$_{20}$ while it is ${bm{Q}}=left(pi/a,pi/a,0right)$ for PrV$_{2}$Al$_{20}$ as consistent with experimental observations in PrTi$_{2}$Al$_{20}$ and PrV$_{2}$Al$_{20}$ which exhibit ferro- and antiferro-quadrupole orders, respectively.
Graphene has been identified as a promising material with numerous applications, particularly in spintronics. In this paper we investigate the peculiar features of spin excitations of magnetic units deposited on graphene nanoribbons and how they can couple through a dynamical interaction mediated by spin currents. We examine in detail the spin lifetimes and identify a pattern caused by vanishing density of states sites in pristine ribbons with armchair borders. Impurities located on these sites become practically invisible to the interaction, but can be made accessible by a gate voltage or doping. We also demonstrate that the coupling between impurities can be turned on or off using this characteristic, which may be used to control the transfer of information in transistor-like devices.
We show that the RKKY interaction in the two-impurity Anderson model comprise two contributions: a ferromagnetic part stemming from the symmetrized hybridization functions and an anti-ferromagnetic part. We demonstrate that this anti-ferromagnetic contribution can also be generated by an effective local tunneling term between the two impurities. This tunneling can be analytically calculated for particle-hole symmetric impurities. Replacing the full hybridization functions by the symmetric part and this tunneling term leads to the identical low-temperature fixed point spectrum in the numerical renormalization group. Compensating this tunneling term is used to restore the Varma-Jones quantum critical point between a strong coupling phase and a local singlet phase even in the absence of particle-hole symmetry in the hybridization functions. We analytically investigate the spatial frequencies of the effective tunneling term based on the combination of the band dispersion and the shape of the Fermi surface. Numerical renormalization group calculations provide a comparison of the distance dependent tunneling term and the local spin-spin correlation function. Derivations between the spatial dependency of the full spin-spin correlation function and the textbook RKKY interaction are reported.
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