Doping-dependent study of the periodic Anderson model in three dimensions

We study a simple model for $f$-electron systems, the three-dimensional periodic Anderson model, in which localized $f$ states hybridize with neighboring $d$ states. The $f$ states have a strong on-site repulsion which suppresses the double occupancy and can lead to the formation of a Mott-Hubbard insulator. When the hybridization between the $f$ and $d$ states increases, the effects of these strong electron correlations gradually diminish, giving rise to interesting phenomena on the way. We use the exact quantum Monte-Carlo, approximate diagrammatic fluctuation-exchange approximation, and mean-field Hartree-Fock methods to calculate the local moment, entropy, antiferromagnetic structure factor, singlet-correlator, and internal energy as a function of the $f-d$ hybridization for various dopings. Finally, we discuss the relevance of this work to the volume-collapse phenomenon experimentally observed in f-electron systems.Comment: 12 pages, 8 figure

Screened-interaction expansion for the Hubbard model and determination of the quantum Monte Carlo Fermi surface

We develop a systematic self-consistent perturbative expansion for the self energy of Hubbard-like models. The interaction lines in the Feynman diagrams are dynamically screened by the charge fluctuations in the system. Although the formal expansion is exact-assuming that the model under the study is perturbative-only if diagrams to all orders are included, it is shown that for large-on-site-Coulomb-repulsion-U systems weak-coupling expansions to a few orders may already converge. We show that the screened interaction for the large-U system can be vanishingly small at a certain intermediate electron filling; and it is found that our approximation for the imaginary part of the one-particle self energy agrees well with the QMC results in the low energy scales at this particular filling. But, the usefulness of the approximation is hindered by the fact that it has the incorrect filling dependence when the filling deviates from this value. We also calculate the exact QMC Fermi surfaces for the two-dimensional (2-D) Hubbard model for several fillings. Our results near half filling show extreme violation of the concepts of the band theory; in fact, instead of growing, Fermi surface vanishes when doped toward the half-filled Mott-Hubbard insulator. Sufficiently away from half filling, noninteracting-like Fermi surfaces are recovered. These results combined with the Luttinger theorem might show that diagrammatic expansions for the nearly-half-filled Hubbard model are unlikely to be possible; however, the nonperturbative part of the solution seems to be less important as the filling gradually moves away from one half. Results for the 2-D one-band Hubbard model for several hole dopings are presented. Implications of this study for the high-temperature superconductors are also discussed.Comment: 11 pages, 12 eps figures embedded, REVTeX, submitted to Phys. Rev. B; (v2) minor revisions, scheduled for publication on November 1

A planar extrapolation of the correlation problem that permits pairing

It was observed previously that an SU(N) extension of the Hubbard model is dominated, at large N, by planar diagrams in the sense of 't Hooft, but the possibility of superconducting pairing got lost in this extrapolation. To allow for this possibility, we replace SU(N) by U(N,q), the unitary group in a vector space of quaternions. At the level of the free energy, the difference between the SU(N)and U(N,q) extrapolations appears only to first nonleading order in N.Comment: 8 pages, 2 figure

Fluctuation Exchange Analysis of Superconductivity in the Standard Three-Band CuO2 Model

The fluctuation exchange, or FLEX, approximation for interacting electrons is applied to study instabilities in the standard three-band model for CuO2 layers in the high-temperature superconductors. Both intra-orbital and near-neigbor Coulomb interactions are retained. The filling dependence of the d(x2-y2) transition temperature is studied in both the "hole-doped" and "electron-doped" regimes using parameters derived from constrained-occupancy density-functional theory for La2CuO4. The agreement with experiment on the overdoped hole side of the phase diagram is remarkably good, i.e., transitions emerge in the 40 K range with no free parameters. In addition the importance of the "orbital antiferromagnetic," or flux phase, charge density channel is emphasized for an understanding of the underdoped regime.Comment: REVTex and PostScript, 31 pages, 26 figures; to appear in Phys. Rev. B (1998); only revised EPS figures 3, 4, 6a, 6b, 6c, 7 and 8 to correct disappearance of some labels due to technical problem

A crib-shaped triplet pairing gap function for an orthogonal pair of quasi-one dimensional Fermi surfaces in Sr2_2RuO4_4

The competition between spin-triplet and singlet pairings is studied theoretically for the tight-binding $\alpha$-$\beta$ bands in Sr$_2$RuO$_4$, which arise from two sets of quasi-one dimensional Fermi surfaces. Using multiband FLEX approximation, where we incorporate an anisotropy in the spin fluctuations as suggested from experiments, we show that (i) the triplet can dominate over the singlet (which turns out to be extended s), and (ii) the triplet gap function optimized in the Eliashberg equation has an unusual, very non-sinusoidal form, whose time-reversal-broken combination exhibits a crib-shaped amplitude with dips.Comment: 5 pages, RevTeX, to appear in Phys.Rev.B (Rapid Communications

Possible Ordered States in the 2D Extended Hubbard Model

Possible ordered states in the 2D extended Hubbard model with on-site (U>0) and nearest-neighbor (V) interaction are examined near half filling, with emphasis on the effect of finite V. First, the phase diagram at absolute zero is determined in the mean field approximation. For $V<0$, a state where d_{x^{2}-y^{2}}-wave superconductivity (dSC), commensurate spin-density-wave (SDW) and $\pi$-triplet pair coexist is seen to be stabilized. Here, the importance of $\pi$-triplet pair on the coexistence of dSC and SDW is indicated. This coexistent state is hampered by the phase separation (PS), which is generally expected to occur in the presence of finite-range attractive interaction, but survives. For V>0, a state where commensurate charge-density-wave (CDW), SDW and ferromagnetism (FM) coexist is seen to be stabilized. Here, the importance of FM on the coexistence of CDW and SDW is indicated. Next, in order to examine the effects of fluctuation on each mean field ordered state, the renormalization group method for the special case that the Fermi level lies just on the saddle points, ($\pi$,0) and (0,$\pi$), is applied. The crucial difference from the mean field result is that superconductivity can arise even for U>0 and $V\geq0$, where the superconducting gap symmetry is d_{x^{2}-y^{2}}-wave for U>4V and s-wave for U<4V. Finally, the possibilities that the mean field coexistent states survive in the presence of fluctuation are discussed.Comment: 12 pages, 19 figures included, revised versio

Theory of Spin Fluctuation-Induced Superconductivity Based on a d-p Model. II. -Superconducting State-

The superconducting state of a two-dimensional d-p model is studied from the spin fluctuation point of view by using a strong coupling theory. The fluctuation exchange (FLEX) approximatoin is employed to calculate the spin fluctuations and the superconducting gap functions self-consistently in the optimal- and over-doped regions of hole concentration. The gap function has a symmetry of d_{x^2 - y^2} type and develops below the transition temperature T_c more rapidly than in the BCS model. Its saturation value at the maximum is about 10 T_c. When the spin fluctuation-induced superconductivity is well stabilized at low temperatures in the optimal regime, the imaginary part of the antiferromagnetic spin susceptibility shows a very sharp resonance peak reminiscent of the 41 meV peak observed in the neutron scattering experiment on YBCO. The one-particle spectral density around k=(pi,0) shows sharp quasi-particle peaks followed by dip and hump structures bearing resemblance to the features observed in the angle-resolved photoemission experiment. With increasing doping concentration these features gradually disappear.Comment: 13 pages(LaTeX), 20 eps figure

Comparison of elongation amount and bond strength between different soft lining materials and PMMA denture base material [Farkli yumusak astar malzemelerinin uzama miktarlarinin ve PMMA kaideye baglanma dayaniminin karsilastirilmasi]

Objectives: The bond strength and elongation amount of different soft lining materials were evaluated in the current study. Material and Methods: Following the flasking of wax specimens in dental stone, wax removal and processing of polymethylmetacrylate (Meliodent) denture material, 3 different soft relining materials (Molloplast-B, Mollosil Plus, Vertex Soft) were placed within the space prepared in the center of polymethylmetacrylate (PMMA) specimens (n=8). Using a crosshead speed of 5mm/min, tensile test was continued until failure was occurred. Mean tensile strength (MPa) and mean elongation (mm) was measured. Data was analyzed using one-way ANOVA and Tukey multiple comparison test (?=0.05). Results: Significant differences were found among the tensile bond strength results (p<0.05). The highest bond strength value was observed for acrylic base soft lining material (1.6 (0.2) MPa), while the lowest value was observed for autopolymerized silicon based material (0.9 (0.1) MPa). A significant difference was not found between the heat polymerized acrylic and the silicon based soft lining materials. All three materials showed similar values in terms of elongation amounts (p<0.05). The elongation amounts were 6 (2.1) mm for acrylic based soft lining material, 7.1 (1.8) mm for autopolymerized silicon soft lining material and 4.8 (2.3) mm for heat polymerized silicon material. Conclusions: No significant difference was found between the heat polymerized acrylic and the silicone based soft lining materials. Autopolymerizing silicone based soft lining material has the lowest bond strength value. No significant difference was found for elongation amounts