Exact Ground States of the Periodic Anderson Model in D=3 Dimensions

We construct a class of exact ground states of three-dimensional periodic Anderson models (PAMs) -- including the conventional PAM -- on regular Bravais lattices at and above 3/4 filling, and discuss their physical properties. In general, the f electrons can have a (weak) dispersion, and the hopping and the non-local hybridization of the d and f electrons extend over the unit cell. The construction is performed in two steps. First the Hamiltonian is cast into positive semi-definite form using composite operators in combination with coupled non-linear matching conditions. This may be achieved in several ways, thus leading to solutions in different regions of the phase diagram. In a second step, a non-local product wave function in position space is constructed which allows one to identify various stability regions corresponding to insulating and conducting states. The compressibility of the insulating state is shown to diverge at the boundary of its stability regime. The metallic phase is a non-Fermi liquid with one dispersing and one flat band. This state is also an exact ground state of the conventional PAM and has the following properties: (i) it is non-magnetic with spin-spin correlations disappearing in the thermodynamic limit, (ii) density-density correlations are short-ranged, and (iii) the momentum distributions of the interacting electrons are analytic functions, i.e., have no discontinuities even in their derivatives. The stability regions of the ground states extend through a large region of parameter space, e.g., from weak to strong on-site interaction U. Exact itinerant, ferromagnetic ground states are found at and below 1/4 filling.Comment: 47 pages, 10 eps figure

Direct experimental verification of applicability of single-site model for angle integrated photoemission of small TKT_{K} concentrated Ce compounds

Bulk-sensitive high-resolution Ce 4f spectra have been obtained from 3d $\to$ 4f resonance photoemission measurements on La$_{1-x}$Ce$_x$Al$_2$ and La$_{1-x}$Ce$_x$Ru$_2$ for $x = 0.0, 0.04, 1.0$. The 4f spectra of low-Kondo-temperature ($T_{K}$) (La,Ce)Al$_2$ are essentially identical except for a slight increase of the Kondo peak with $x$, which is consistent with a known increase of $T_{K}$ with $x$. In contrast, the 4f spectra of high-$T_{K}$ (La,Ce)Ru$_2$ show a Kondo-like peak and also a 0.5 eV structure which increases strongly with $x$. The resonance photon-energy dependences of the two contributions are different and the origin of the 0.5 eV structure is still uncertain.Comment: submitted to SCES 2001, two-columnn format, modified tex

Data Services for Long Tail Science at the Integrated Earth Data Applications (IEDA) Data Facility

IEDA (Integrated Earth Data Applications) is a US-based data facility funded through a contract with the US National Science Foundation to operate data systems and data services for solid earth geoscience data. IEDA has developed a comprehensive suite of data services that are designed to address the concerns and needs of investigators, especially researchers working in the 'Long Tail of Science' (Heidorn 2008). IEDA provides a data publication service, registering datasets with DOI to ensure their proper citation and attribution. IEDA works with publishers on advanced linkages between datasets in the IEDA repository and scientific online articles to facilitate access to the data, enhance their visibility, and augment their use and citation. IEDA also developed a comprehensive investigator support that includes tools, tutorials, and virtual or face-to-face workshops that guide and assist investigators with data management planning, data submission, and data documentation. A critical aspect of IEDA's concept has been the disciplinary expertise within the team and its strong liaison with the science community, as well as a community-based governance. These have been fundamental to gain the trust and support of the scientists and have lead to significantly improved data preservation and access in the communities served by IEDA

Ce-L3-XAS study of the temperature dependence of the 4f occupancy in the Kondo system Ce2Rh3Al9

We have used temperature dependent x-ray absorption at the Ce-L3 edge to investigate the recently discovered Kondo compound Ce2Rh3Al9. The systematic changes of the spectral lineshape with decreasing temperature are analyzed and found to be related to a change in the $4f$ occupation number, n_f, as the system undergoes a transition into a Kondo state. The temperature dependence of $n_f$ indicates a characteristic temperature of 150K, which is clearly related with the high temperature anomaly observed in the magnetic susceptibility of the same system. The further anomaly observed in the resistivity of this system at low temperature (ca. 20K) has no effect on n_f and is thus not of Kondo origin.Comment: 7 pages, three figures, submitted to PR

Fermi Surface Properties of Low Concentration Cex_{x}La1−x_{1-x}B6_{6}: dHvA

The de Haas-van Alphen effect is used to study angular dependent extremal areas of the Fermi Surfaces (FS) and effective masses of Ce$_{x}$La$_{1-x}$B$_{6}$ alloys for $x$ between 0 and 0.05. The FS of these alloys was previously observed to be spin polarized at low Ce concentration ($x$ = 0.05). This work gives the details of the initial development of the topology and spin polarization of the FS from that of unpolarized metallic LaB$_{6}$ to that of spin polarized heavy Fermion CeB$_{6}$ .Comment: 7 pages, 9 figures, submitted to PR

Plaquette operators used in the rigorous study of ground-states of the Periodic Anderson Model in D=2D = 2 dimensions

The derivation procedure of exact ground-states for the periodic Anderson model (PAM) in restricted regions of the parameter space and D=2 dimensions using plaquette operators is presented in detail. Using this procedure, we are reporting for the first time exact ground-states for PAM in 2D and finite value of the interaction, whose presence do not require the next to nearest neighbor extension terms in the Hamiltonian. In order to do this, a completely new type of plaquette operator is introduced for PAM, based on which a new localized phase is deduced whose physical properties are analyzed in detail. The obtained results provide exact theoretical data which can be used for the understanding of system properties leading to metal-insulator transitions, strongly debated in recent publications in the frame of PAM. In the described case, the lost of the localization character is connected to the break-down of the long-range density-density correlations rather than Kondo physics.Comment: 34 pages, 5 figure

A study of the superconducting gap in RNi2_2B2_2C (R = Y, Lu) single crystals by inelastic light scattering

Superconductivity-induced changes in the electronic Raman scattering response were observed for the RNi$_2$B$_2$C (R = Y, Lu) system in different scattering geometries. In the superconducting state, 2$\Delta$-like peaks were observed in A$_{1g}$, B$_{1g}$, and B$_{2g}$ spectra from single crystals. The peaks in A$_{1g}$ and B$_{2g}$ symmetries are significantly sharper and stronger than the peak in B$_{1g}$ symmetry. The temperature dependence of the frequencies of the 2$\Delta$-like peaks shows typical BCS-type behavior, but the apparent values of the $2\Delta$ gap are strongly anisotropic for both systems. In addition, for both YNi$_2$B$_2$C and LuNi$_2$B$_2$C systems, there exists reproducible scattering strength below the $2\Delta$ gap which is roughly linear to the frequency in B$_{1g}$ and B$_{2g}$ symmetries. This discovery of scattering below the gap in non-magnetic borocarbide superconductors, which are thought to be conventional BCS-type superconductors, is a challenge for current understanding of superconductivity in this system.Comment: Added text, changed a figure, and added references. Will appear in Phys. Rev.

Magnetic state of plutonium ion in metallic Pu and its compounds

By LDA+U method with spin-orbit coupling (LDA+U+SO) the magnetic state and electronic structure have been investigated for plutonium in \delta and \alpha phases and for Pu compounds: PuN, PuCoGa5, PuRh2, PuSi2, PuTe, and PuSb. For metallic plutonium in both phases in agreement with experiment a nonmagnetic ground state was found with Pu ions in f^6 configuration with zero values of spin, orbital, and total moments. This result is determined by a strong spin-orbit coupling in 5f shell that gives in LDA calculation a pronounced splitting of 5f states on f^{5/2} and f^{7/2} subbands. A Fermi level is in a pseudogap between them, so that f^{5/2} subshell is already nearly completely filled with six electrons before Coulomb correlation effects were taken into account. The competition between spin-orbit coupling and exchange (Hund) interaction (favoring magnetic ground state) in 5f shell is so delicately balanced, that a small increase (less than 15%) of exchange interaction parameter value from J_H=0.48eV obtained in constrain LDA calculation would result in a magnetic ground state with nonzero spin and orbital moment values. For Pu compounds investigated in the present work, predominantly f^6 configuration with nonzero magnetic moments was found in PuCoGa5, PuSi2, and PuTe, while PuN, PuRh2, and PuSb have f^5 configuration with sizeable magnetic moment values. Whereas pure jj coupling scheme was found to be valid for metallic plutonium, intermediate coupling scheme is needed to describe 5f shell in Pu compounds. The results of our calculations show that both spin-orbit coupling and exchange interaction terms in the Hamiltonian must be treated in a general matrix form for Pu and its compounds.Comment: 20 pages, LaTeX; changed discussion on reference pape