Numerical Calculation of Convection with Reduced Speed of Sound Technique

Context. The anelastic approximation is often adopted in numerical calculation with low Mach number, such as stellar internal convection. This approximation requires frequent global communication, because of an elliptic partial differential equation. Frequent global communication is negative factor for the parallel computing with a large number of CPUs. Aims. The main purpose of this paper is to test the validity of a method that artificially reduces the speed of sound for the compressible fluid equations in the context of stellar internal convection. The reduction of speed of sound allows for larger time steps in spite of low Mach number, while the numerical scheme remains fully explicit and the mathematical system is hyperbolic and thus does not require frequent global communication. Methods. Two and three dimensional compressible hydrodynamic equations are solved numerically. Some statistical quantities of solutions computed with different effective Mach numbers (due to reduction of speed of sound) are compared to test the validity of our approach. Results. Numerical simulations with artificially reduced speed of sound are a valid approach as long as the effective Mach number (based on the reduced speed of sound) remains less than 0.7.Comment: 16 pages, 10 figures, accepted to A&

Quadrupole Susceptibility of Gd-Based Filled Skutterudite Compounds

It is shown that quadrupole susceptibility can be detected in Gd compounds contrary to our textbook knowledge that Gd$^{3+}$ ion induces pure spin moment due to the Hund's rules in an $LS$ coupling scheme. The ground-state multiplet of Gd$^{3+}$ is always characterized by $J$=7/2, where $J$ denotes total angular momentum, but in a $j$-$j$ coupling scheme, one $f$ electron in $j$=7/2 octet carries quadrupole moment, while other six electrons fully occupy $j$=5/2 sextet, where $j$ denotes one-electron total angular momentum. For realistic values of Coulomb interaction and spin-orbit coupling, the ground-state wavefunction is found to contain significant amount of the $j$-$j$ coupling component. From the evaluation of quadrupole susceptibility in a simple mean-field approximation, we point out a possibility to detect the softening of elastic constant in Gd-based filled skutterudites.Comment: 8 pages, 4 figure

Modulation Doping of a Mott Quantum Well by a Proximate Polar Discontinuity

We present evidence for hole injection into LaAlO3/LaVO3/LaAlO3 quantum wells near a polar surface of LaAlO3 (001). As the surface is brought in proximity to the LaVO3 layer, an exponential drop in resistance and a decreasing positive Seebeck coefficient is observed below a characteristic coupling length of 10-15 unit cells. We attribute this behavior to a crossover from an atomic reconstruction of the AlO2-terminated LaAlO3 surface to an electronic reconstruction of the vanadium valence. These results suggest a general approach to tunable hole-doping in oxide thin film heterostructures.Comment: 16 pages, 7 figure

Kondo Effect in an Electron System with Dynamical Jahn-Teller Impurity

We investigate how Kondo phenomenon occurs in the Anderson model dynamically coupled with local Jahn-Teller phonons. It is found that the total angular moment composed of electron pseudo-spin and phonon angular moments is screened by conduction electrons. Namely, phonon degrees of freedom essentially contribute to the formation of singlet ground state. A characteristic temperature of the Kondo effect due to dynamical Jahn-Teller phonons is explained by an effective $s$-$d$ Hamiltonian with anisotropic exchange interaction obtained from the Jahn-Teller-Anderson model in a non-adiabatic region.Comment: 5 pages, 3 figure

Multipole as ff-Electron Spin-Charge Density in Filled Skutterudites

It is shown that $f$-electron multipole is naturally defined as spin-charge one-electron density operator in the second-quantized form with the use of tensor operator on the analogy of multipole expansion of electromagnetic potential from charge distribution in electromagnetism. Due to this definition of multipole, it is possible to determine multipole state from a microscopic viewpoint on the basis of the standard linear response theory for multipole susceptibility. In order to discuss multipole properties of filled skutterudites, we analyze a seven-orbital impurity Anderson model by employing a numerical renormalization group method. We show our results on possible multipole states of filled skutterudite compounds.Comment: To appear in the Proceedings of International Conference on "New Quantum Phenomena in Skutterudite and Related Systems" (September 2007, Kobe, Japan

Effective Crystalline Electric Field Potential in a j-j Coupling Scheme

We propose an effective model on the basis of a $j$-$j$ coupling scheme to describe local $f$-electron states for realistic values of Coulomb interaction $U$ and spin-orbit coupling $\lambda$, for future development of microscopic theory of magnetism and superconductivity in $f^n$-electron systems, where $n$ is the number of local $f$ electrons. The effective model is systematically constructed by including the effect of a crystalline electric field (CEF) potential in the perturbation expansion in terms of $1/\lambda$. In this paper, we collect all the terms up to the first order of $1/\lambda$. Solving the effective model, we show the results of the CEF states for each case of $n$=2$\sim$5 with $O_{\rm h}$ symmetry in comparison with those of the Stevens Hamiltonian for the weak CEF. In particular, we carefully discuss the CEF energy levels in an intermediate coupling region with $\lambda/U$ in the order of 0.1 corresponding to actual $f$-electron materials between the $LS$ and $j$-$j$ coupling schemes. Note that the relevant energy scale of $U$ is the Hund's rule interaction. It is found that the CEF energy levels in the intermediate coupling region can be quantitatively reproduced by our modified $j$-$j$ coupling scheme, when we correctly take into account the corrections in the order of $1/\lambda$ in addition to the CEF terms and Coulomb interactions which remain in the limit of $\lambda$=$\infty$. As an application of the modified $j$-$j$ coupling scheme, we discuss the CEF energy levels of filled skutterudites with $T_{\rm h}$ symmetry.Comment: 12 pages, 7 figures. Typeset with jpsj2.cl

Multipole correlations in low-dimensional f-electron systems

By using a density matrix renormalization group method, we investigate the ground-state properties of a one-dimensional three-orbital Hubbard model on the basis of a j-j coupling scheme. For $B_4^0 \ne 0$, where $B_4^0$ is a parameter to control cubic crystalline electric field effect, one orbital is itinerant, while other two are localized. Due to the competition between itinerant and localized natures, we obtain orbital ordering pattern which is sensitive to $B_4^0$, leading to a characteristic change of $\Gamma_{3g}$ quadrupole state into an incommensurate structure. At $B_4^0 = 0$, all the three orbitals are degenerate, but we observe a peak at $q = 0$ in $\Gamma_{3g}$ quadrupole correlation, indicating a ferro-orbital state, and the peak at $q = \pi$ in $\Gamma_{4u}$ dipole correlation, suggesting an antiferromagnetic state. We also discuss the effect of $\Gamma_{4u}$ octupole on magnetic anisotropy.Comment: 4 pages, 3 figures, Proceedings of ASR-WYP-2005 (September 27-29, 2005, Tokai

Multipole State of Heavy Lanthanide Filled Skutterudites

We discuss multipole properties of filled skutterudites containing heavy lanthanide Ln from a microscopic viewpoint on the basis of a seven-orbital Anderson model. For Ln=Gd, in contrast to naive expectation, quadrupole moments remain in addition to main dipole ones. For Ln=Ho, we find an exotic state governed by octupole moment. For Ln=Tb and Tm, no significant multipole moments appear at low temperatures, while for Ln=Dy, Er, and Yb, dipole and higher-order multipoles are dominant. We briefly discuss possible relevance of these multipole states with actual materials.Comment: 5 pages, 3 figure