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R. Pucci

Publications and source records attributed to R. Pucci.

49 records · Page 3Linked to original sources

Superconducting transition temperatures of the elements related to elastic constants

For a given crystal structure, say body-centred-cubic, the many-body Hamiltonian in which nuclear and electron motions are to be treated from the outset on the same footing, has parameters, for the elements, which can be classified as (i) atomic mass M, (ii) atomic number Z, characterizing the external potential in which electrons move, and (iii) bcc lattice spacing, or equivalently one can utilize atomic volume, Omega. Since the thermodynamic quantities can be determined from H, we conclude that Tc, the superconducting transition temperature, when it is non-zero, may be formally expressed as Tc = Tc^(M) (Z, Omega). One piece of evidence in support is that, in an atomic number vs atomic volume graph, the superconducting elements lie in a well defined region. Two other relevant points are that (a) Tc is related by BCS theory, though not simply, to the Debye temperature, which in turn is calculable from the elastic constants C_{11}, C_{12}, and C_{44}, the atomic weight and the atomic volume, and (b) Tc for five bcc transition metals is linear in the Cauchy deviation C* = (C_{12} - C_{44})/(C_{12} + C_{44}). Finally, via elastic constants, mass density and atomic volume, a correlation between C* and the Debye temperature is established for the five bcc transition elements.

cond-mat.supr-con↗

Linear response theory around a localized impurity in the pseudogap regime of an anisotropic superconductor: precursor pairing vs the d-density-wave scenario

We derive the polarizability of an electron system in (i) the superconducting phase, with d-wave symmetry, (ii) the pseudogap regime, within the precursor pairing scenario, and (iii) the d-density-wave (dDW) state, characterized by a d-wave hidden order parameter, but no pairing. Such a calculation is motivated by the recent proposals that imaging the effects of an isolated impurity may distinguish between precursor pairing and dDW order in the pseudogap regime of the high-Tc superconductors. In all three cases, the wave-vector dependence of the polarizability is characterized by an azymuthal modulation, consistent with the d-wave symmetry of the underlying state. However, only the dDW result shows the fingerprints of nesting, with nesting wave-vector Q=(pi,pi), albeit imperfect, due to a nonzero value of the hopping ratio t'/t in the band dispersion relation. As a consequence of nesting, the presence of hole pockets is also exhibited by the (q,omega) dependence of the retarded polarizability.

cond-mat.supr-con↗

Stretched chemical bonds in Si6H6: A transition from ring currents to localized pi-electrons?

Motivated by solid-state studies on the cleavage force in Si, and the consequent stretching of chemical bonds, we here study bond stretching in the, as yet unsynthesized, free space molecule Si6H6. We address the question as to whether substantial bond stretching (but constrained to uniform scaling on all bonds) can result in a transition from ring current behaviour, characteristic say of benzene at its equilibrium geometry, to localized pi-electrons on Si atoms. Some calculations are also recorded on dissociation into 6 SiH radicals. While the main studies have been carried out by unrestricted Hartree-Fock (HF) theory, the influence of electron correlation has been examined using two forms of density functional theory. Planar Si6H6 treated by HF is bound to be unstable, not all vibrational frequencies being real. Some buckling is then allowed, which results in real frequencies and stability. Evidence is then provided that the non-planar structure, as the Si-Si distance is increased, exhibits pi-electron localization in the range 1.2-1.5 times the equilibrium distance.

physics.chem-ph↗

Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections

In a recent study by Kornath et al. [J. Chem. Phys. 118 (2003) 6957], the Li_n clusters with n=2, 4 and 8 have been isolated in argon matrices at 15 K and characterized by Raman spectroscopy. This has prompted us to carry out a theoretical study on such clusters up to n=10, using Hartree-Fock theory, plus low-order Moeller-Plesset perturbation corrections. To check against the above study of Kornath et al., as a by-product we have made the same approximations for n=6 and 8 as we have for n=10. This has led us to emphasize trends with n through the Li_n clusters for (i) ground-state energy, (ii) HOMO-LUMO energy gap, (iii) dissociation energy, and (iv) Hartree-Fock eigenvalue sum. The role of electron correlation in distinguishing between low-lying isomers is plainly crucial, and will need a combination of experiment and theory to obtain decisive results such as that of Kornath et al. for Li_8. In particular, it is shown that Hartree-Fock theory plus bond order correlations does account for the experimentally observed symmetry T_d symmetry for Li_8.

physics.chem-ph↗

Integral equation for inhomogeneous condensed bosons generalizing the Gross-Pitaevskii differential equation

We give here the derivation of a Gross-Pitaevskii--type equation for inhomogeneous condensed bosons. Instead of the original Gross-Pitaevskii differential equation, we obtain an integral equation that implies less restrictive assumptions than are made in the very recent study of Pieri and Strinati [Phys. Rev. Lett. 91 (2003) 030401]. In particular, the Thomas-Fermi approximation and the restriction to small spatial variations of the order parameter invoked in their study are avoided.

cond-mat.soft↗

Correlation between characteristic energies in non-s-wave pairing superconductors

By solution of the Bethe-Goldstone equation for the Cooper pairing problem, an approximate analytic relation is derived between coherence length xi and the binding energy of the Cooper pair. This relation is then qualitatively confirmed by numerically solving the corresponding self-consistent gap equations, following the crossover from weak to strong coupling, in non-s-wave superconductors. The relation applies to non-conventional superconductors, and in particular to heavy Fermions and to high-Tc cuprates. Utilizing in addition a phenomenological link between kB*Tc and a characteristic energy epsilon_c = hbar^2 / 2m^* xi^2, with m^* the effective mass, major differences are exposed in the functional relation between kB*Tc and epsilon_c for s-wave materials and for non-conventional superconductors. The relation between critical temperature and epsilon_c thereby proposed correctly reflects the qualitative properties of heavy Fermion superconductors.

cond-mat.supr-con↗

Gaussian Effective Potential and superconductivity

The Gaussian Effective Potential in a fixed transverse unitarity gauge is studied for the static three-dimensional U(1) scalar electrodynamics (Ginzburg-Landau phenomenological theory of superconductivity). In the broken-symmetry phase the mass of the electromagnetic field (inverse penetration depth) and the mass of the scalar field (inverse correlation length) are both determined by solution of the coupled variational equations. At variance with previous calculations, the choice of a fixed unitarity gauge prevents from the occurrence of any unphysical degree of freedom. The theory provides a nice interpolation of the experimental data when approaching the critical region, where the standard mean-field method is doomed to failure.

cond-mat.supr-con↗

Effects of proximity to an electronic topological transition on normal state transport properties of the high-Tc superconductors

Within the time dependent Ginzburg-Landau theory, the effects of the superconducting fluctuations on the transport properties above the critical temperature are characterized by a non-zero imaginary part of the relaxation rate gamma of the order parameter. Here, we evaluate Im gamma for an anisotropic dispersion relation typical of the high-Tc cuprate superconductors (HTS), characterized by a proximity to an electronic topological transition (ETT). We find that Im gamma abruptly changes sign at the ETT as a function of doping, in agreement with the universal behavior of the HTS. We also find that an increase of the in-plane anisotropy, as is given by a non-zero value of the next-nearest to nearest hopping ratio r=t'/t, increases the value of | Im gamma | close to the ETT, as well as its singular behavior at low temperature, therefore enhancing the effect of superconducting fluctuations. Such a result is in qualitative agreement with the available data for the excess Hall conductivity for several cuprates and cuprate superlattices.

cond-mat.supr-con↗

Symmetry breaking and restoring under high pressure: the amazing behaviour of the "simple" alkali metals

We argue that an ionic lattice surrounded by a Fermi liquid changes phase several times under pressure, oscillating between the symmetric phase and a low-symmetry dimerized structure, as a consequence of Friedel oscillations in the pair potential. Phase oscillations explain the tendency towards dimerization which has been recently reported for the light alkali metals under high pressure. Moreover, a restoring of the symmetric phase is predicted for such elements at an even higher density.

cond-mat.mtrl-sci↗

Linear response function around a localized impurity in a superconductor

Imaging the effects of an impurity like Zn in high-Tc superconductors [Nature 61 (2000) 746] has rekindled interest in defect problems in the superconducting phase. This has prompted us here to re-examine the early work of March and Murray [Phys. Rev. 120 (1960) 830] on the linear response function in an initially translationally invariant Fermi gas. In particular, we present corresponding results for a superconductor at zero temperature, both in the s- and in the d-wave case, and mention their direct physical relevance in the case when the impurity potential is highly localized.

cond-mat.supr-con↗

Tc for non s-wave pairing superconductors correlated with coherence length and effective mass

For unconventional heavy Fermion superconductors, typified by UBe_13, the superconducting transition temperatures Tc are shown to correlate with a characteristic energy hbar^2 /(m* xi^2), m* being the effective mass and xi the coherence length. For four of the six materials for which Tc, m* and xi are available, kB Tc ~ 20 hbar^2 / (m* xi^2). One heavy Fermion material, UPd_2Al_3, reveals a tendency for the above linear behaviour to saturate at substantially larger hbar^2 / (m* xi^2) than for UBe_13. The sixth material considered, URu_2Si_2, falls between UBe_13 and UPd_2Al_3. To embrace d-wave pairing in cuprates, a log-log plot reveals that kB Tc ~ hbar^2 / (m* xi^2), but more materials for which m* and xi are measured will be required to substantiate the correlation in these high-Tc substances.

cond-mat.supr-con↗

Superconducting transition temperatures and coherence length in non s-wave pairing materials correlated with spin-fluctuation mediated interaction

Following earlier work on electron or hole liquids flowing through assemblies with magnetic fluctuations, we have recently exposed a marked correlation of the superconducting temperature Tc, for non s-wave pairing materials, with coherence length xi and effective mass m*. The very recent study of Abanov et al. [Europhys. Lett. 54, 488 (2001)] and the prior investigation of Monthoux and Lonzarich [Phys. Rev. B 59, 14598 (1999)] have each focussed on the concept of a spin-fluctuation temperature T_sf, which again is intimately related to Tc. For the d-wave pairing via antiferromagnetic spin fluctuations in the cuprates, these studies are brought into close contact with our own work, and the result is that k_B T_sf ~ hbar^2 / m* xi^2. This demonstrates that xi is also determined by such antiferromagnetic spin-fluctuation mediated pair interaction. The coherence length in units of the lattice spacing is then essentially given in the cuprates as the square root of the ratio of two characteristic energies, namely: the kinetic energy of localization of a charge carrier of mass m* in a specified magnetic correlation length to the hopping energy. The quasi-2D ruthenate Sr_2RuO_4, with Tc ~ 1.3 K, has p-wave spin-triplet pairing and so is also briefly discussed here.

cond-mat.supr-con↗

Sharp k-space features in the order parameter within the interlayer pair-tunneling mechanism of high-T_c superconductivity

We study the k-dependence of the gap function of a bilayer superconductor, using standard mean-field techniques applied to a 2D extended Hubbard model, in the presence of coherent interlayer pair-tunneling and quenched coherent single-particle tunneling. The intralayer pairing potential thus defined is expandable in a finite number of basis functions for the irreducible representations of the point-group of the perfectly square lattice, C_{4v}. This gives rise to a competition between s- and d-wave symmetry, as the chemical potential is increased from the bottom to the top of a realistic band for most cuprates. It allows for mixed-symmetry paired state at temperatures below T_c, but never at T_c on a square lattice. Inclusion of the interlayer pair-tunneling into the effective pairing potential leads to highly non-trivial k-space structures, such as pronounced maxima along the Fermi line not seen in the absence of interlayer pair-tunneling. We show how such a gap structure evolves with temperature and with band filling, and how it affects various observables. In particular, a nonuniversal value of the normalized jump in the specific heat at T_c will be evidenced, at variance with the conventional universal BCS result.

cond-mat.supr-con↗