Temperature-dependent electronic structure of gadolinium

We investigate the electronic structure of the ferromagnetic 4f-metal Gadolinium by use of a many-body evaluation of a generalized model of magnetism, the one-particle part of which is derived from an ASW-LSDA bandstructure calculation. A striking temperature-dependence of the conduction band states is traced back to a 4f-(5d, 6s) interband exchange. The conduction electron polarization (0.63 _B atT=0) decreases forTT _c very similar to the 4f-magnetization. A red shift of the lower -band edge of about 0.25 eV appears upon cooling fromT=T _c toT=0. — The quasiparticle band-structure exibits a remarkable non uniform magnetic behaviour at different positions in the Brillouin zone, and in particular for different subbands. Weakly correlated (s-like) dispersions show a Stoner-likeT-dependence of the exchange splitting. On the other hand, stronger correlated (d-like) dispersions split belowT _c into four branches, two for each spin direction. TheirT-dependence mainly concerns the spectral weights of the quasiparticle peaks and not so much the energetic positions. An exchange caused splitting remains even forT<T _c .     

The Yang-Lee edge singularity in spherical models

The density of Yang-Lee zeros in the thermodynamic limit is discussed for ferromagnetic spherical models of general dimensionalities and arbitrary range of interaction. In all cases the zeros lie on the imaginary axis in the complex magnetic field planeH=H+iH with a density (H) that exhibits a square root singularity(H) (H-H ₀), with=1/2, as the edge of the gap atH=H ₀(T) is approached forT>T _c. WhenTT _c one hasH ₀(T)(TT _c ) with critical exponent=+.Supported by the National Science Foundation in part through the Materials Science Center at Cornell University.     

Temperature-dependent bandstructure of ferromagnetic metals with localized moments

We consider a theoretical model for ferromagnetic metals like Gd, which takes into account the exchange interaction and the hybridization between two electronic subsystems. The first is built up by quasi-localized electrons, which take care for the existence of permanent magnetic moments, and is described by an atomic limit multiband Hubbard-Hamiltonian. The second subsystem consists of relatively broad conduction bands with more or less free electrons. We investigate the influence of electron correlations on the conduction band states in dependence of temperatureT and bandfillingn. A sensitive reaction of the band states on the magnetic ordering of the moment system leads to strong band deformations. The main goal is the determination of a quasiparticle bandstructure, which we derive in analogy to the experiment (PES, IPE) directly from the spectral density. The new aspect is a splitting of the bare dispersion _m (k) into several quasiparticle dispersion curves with stronglyT-andn-dependent spectral weights. Even forT>T _c an exchange-caused splitting is found. — In this paper we use as input for the free band energies _m (k) a nondegenerate simple cubic-tight binding expression, and in addition seven dispersionlessf-levels, in order to stress mainly the influence of many body effects. It is discussed how the model can be coupled to a LDA bandstructure calculation, in order to get quantitative results for theT-dependent electronic structure of the ferromagnetic 4f-metal Gd, the presentation of which is intended in a forthcoming paper.     

Measurements of effective quasiparticle recombination times and of densities of electronic states at the Fermi level in superconducting Al- and Pb-films

Temperature-dependent quasiparticle recombination lifetimes _exp(T) and densitiesN ₀ of electronic states at the Fermi level have been measured from time decay experiments of excess quasiparticle concentrations in evaporated, superconducting Al- and Pb-tunnel junctions. Current pulses were used to inject excess, nonthermal quasiparticles in a single junction acting simultaneously as generator and detector. The experimental lifetimes in unperturbed Al show satisfactory agreement with calculations based on the 2-phonon trapping lifetime model. _exp decreases with increasing perturbations of the Al film structure by oxygen background evaporation. In Pb the measured times indicate 2-phonon volume losses. The densitiesN ₀ in Pb-films and unperturbed as well as oxygen-perturbed Al-films differ by less than 5% from the corresponding bulk material data. Therefore, in trying to explain the enhancement of the transition temperature from 1.23 K to 1.85 K in perturbed, granular Al-films a change ofN ₀ can be ruled out.     

Error performance analysis for an optical heterodyne FSK communication system with a limiter-discriminator-integrator detector

The error probability for a coherent optical heterodyne FSK system with a limiter-discriminator-integrator (LDI) detector is analysed. The analysis includes laser quantum phase noise, the correlated receiver additive white Gaussian noise (AWGN), Gaussian narrow-band IF filtering and intersymbol interference (ISI) caused by it. It is shown that, for 1 dBEb/N ₀penalty at bit error rate (BER) 10^–9, (i) the normalized IF beat spectral linewidth T0.35% for frequency deviation ratioh=0.5(MSK), and T0.5% forh=0.7 (the receiver is insensitive to laser quantum phase noise ath=1.0, if ISI is not included.); (ii) if ISI is incorporated, T0.15% forh=0.5, T0.5% forh=0.7, both with 3dB bandwidth-bit period product (3.0>BT1.5), and T0.5% forh=1.0 with BT1.0 ifT0.35% when ISI exists,h=0.7 is optimum;h=1.0 otherwise.     

Anisotropy of the low temperature resistivity of hexagonal single crystalline spin glass systems

The impurity contribution to the resistivity in zero field (T) of dilute hexagonal single crystals of ZnMn, CdMn and MgMn has been studied in the mK range on samples cut parallel () and perpendicular () to thec-axis, using a SQUID technique for the measurements. Typical spin glass behavior is found in (T) as well as (T) for all alloys, with Kondo like logarithmic increases at higher temperatures and maxima atT _m at lower temperatures, indicating the influence of impurity interactions. The differences in the corresponding isotropic resistivity _poly(T) between the three systems can qualitatively be understood within the framework of a theoretical model by Larsen, describing (T) as a function of universal quantitiesT/T _K and _RKKY/T _K , where _RKKY is the RKKY-interaction strength andT _K the Kondo temperature. With respect to the two lattice directions studied, the behavior of (T and (T is anisotropic in the Kondo regime as well as in the range where ordering becomes important. While the anisotropy in the Kondo slope can be understood by an anisotropic unitarity limit, the understanding of the anisotropy in region where impurity interactions are important remains problematic.Dedicated to Prof. Dr. S. Methfessel on the occasion of his 60th birthday     

Effect of hydrogen doping on the magnetic properties of Gd2CuO4

We report the results of ac-susceptibility and dc-magnetization measurements for H_yGd₂CuO₄ (0y0.54). It is shown thatH doping lowers the weak ferromagnetic component in the material. The distinct hysteresis loops observed atT=77 K for both non- and hydrogenated samples change its shape withy. The magnetic ordering temperatures T _N ^Cu and T _N ^Gd , as determined from the temperature dependencies of ac-susceptibility, remain unchanged with sample's hydrogenation. This result seems to indicate that extra electrons are not doped onto the Cu-O planes of Gd₂CuO₄. The frequency dependencies ofx(, T) andx(, T) for bothy=0 andy=0.15 samples are analysed., The maximums ofx andx found at about 200K are considered in terms of susceptibility dependence on the spin-lattice relaxation time (). The anomalies in ac-susceptibility found recently in Gd₂CuO₄ atT _a=8 K andT _b=9.5 K decrease significantly withy. Results are discussed in the context of available data on 214T-type compounds.     

First-order phase transitions in finite-size strips with interfaces

Finite-size rounding of the magnetization discontinuity at the magnetic phase transition atH=0 (T<T _c ) in 2d Ising-type strips of sizeL ×L , with ± boundary conditions alongL inducing an interface of lengthL , is studied by phenomenological considerations and transfer matrix techniques. Scaling expressions are derived forL =O(L ) and also in the infinite strip limitL . Most of the results can be extended to the 3d case.     

On a class of equilibrium states under the Kubo-Martin-Schwinger boundary condition

Using the Kubo-Martin-Schwinger boundary condition for equilibrium states of quantum statistical mechanics of fermion gas, we prove that forT;0 a one-particle evolution (corresponding essentially to bilinear hamiltonians) generally defines a unique equilibrium state, which is quasi-free. Conversely any quasi-free state is the equilibrium state for a single one-particle evolution if it has no Fock part in its product decomposition. Limiting cases whereT 0 andT are studied. In the case whereT 0 one shows that the state generally converges to a Fock state linked to the evolution.Attaché de Recherche au C.N.R.S.This work is a part of a Thèse de Doctorat d'Etat presented to the Faculté des Sciences de Marseille, April 23, 1969, under the number A.O. 3073.     

Self-consistent calculation of statics and dynamics of the roughening transition

Statics and dynamics of the modified kinetic discrete Gaussian model are treated selfconsistently using a Gaussian probability assumption. A non-trivial roughening temperatureT _R is found in exactly two dimensions only. The free energyF, the correlation length and the interface roughness h ² are found to behave—lnFlnh ²(T _R –T)^–1 for temperaturesT approachingT _R from below. The linear relaxation rate of the order parameter is found to be proportional to ^–2. As a model for crystal growth, the growth rate depends linearly upon the chemical potential difference aboveT _R , shows a metastable regime belowT _R with a spinodal limit of metastability _c , beyond which oscillatory growth starts. The critical behavior of _c is found to be ln _c –(T _R –T)^–1+O(ln (T _R –T)).     

Temperature dependence of viscosity near the glass transition

Real glass transitions, where activated processes are included, are analysed near Whitney fold and cusp singularities. In particular the temperature dependence of the viscosity is studied. For sufficiently strongly coupled systems there is close to a fold singularity located atT=T _c , a crossover from an algebraic divergence (T–T _c )^– forT>T _c , to an Arrhenius dependence exp(E/k _B T) forT<T _c . If a parameter vector specifying the system also passes close to a cusp singularity, atT ₀<T _c , there may be a temperature region where the viscosity also shows Fogel-Fulcher like dependence. The results for the viscosity are intimately connected with the dynamics for the so-called -relaxation process, where relaxation occurs via a fractal time process in the delevant time region.     

Anisotropic low-temperature heat transport in YBa2Cu3O6.9 single crystal

We report measurements of the low-temperature thermal conductivity of YBa₂Cu₃O_7– (0.1) single crystals (T _c =84 K) both parallel ( ^{a, b} ) and perpendicular ( ^c ) to the CuO₂ planes. Whereas ^c (T) is found to be identical, within experimental resolution, with the phonon contribution _ph (T), ^{a, b} (T) contains an additional term linear in temperature,AT. We ascribeAT to the contribution of unpaired electronic carriers residing in the chain layers. Measurements performed in external magnetic fieldsB8 T support this interpretation. Our observations can be explained by an internal multilayer (IML) model in which it is assumed that strong superconductivity is generated within the CuO₂ layers and weak superconductivity is induced in the chain layers by the proximity effect. The fit of the experimental results to the IML model reveals that approximately 15% of the electronic carriers remain unpaired in YBa₂Cu₃O₇ belowT=1 K.     

On the absence of intermediate phases in the two-dimensional Coulomb gas

For a simple, continuum two-dimensional Coulomb gas (with soft cutoff), Gallavotti and Nicoló [J. Stat. Phys. 38:133–156 (1985)] have proved the existence of finite coefficients in the Mayer activity expansion up to order 2n below a series of temperature thresholdsT _n =T [1+(2n–1)^–1] (n=1, 2,...). With this in mind they conjectured that an infinite sequence of intermediate, multipole phases appears between the exponentially screened plasma phase aboveT ₁ and the full, unscreened Kosterilitz-Thouless phase belowT T _KT. We demonstrate that Debye-Hückel-Bjerrum theory, as recently investigated ford=2 dimensions, provides a natural and quite probably correct explanation of the pattern of finite Mayer coefficients while indicating the totalabsence of any intermediate phases at nonzero density ; only the KT phase extends to >0.     

Mössbauer study of oxygen-related lattice instabilities in oriented 1-2-3 HTSC

⁵⁷Fe Mössbauer effect measurements as a function of temperature between 78 and 293 K in grain-aligned YBaCuO (T _c=89 K, T _c<2 K) with bothc andc orientations revealed a sequence of anomalies in the recoilless fraction, center shift and linewidth of all⁵⁷Fe quadrupole doublets in the host lattice. These anomalies are believed to arise due to antiferroelectric phase transitions driven by a nonlinear anharmonic vibrational motion of oxygen atoms in a breathing mode configuration. The results obtained are indicative of a possible coexistence of high-T _c superconductivity and antiferroelectricity in 1-2-3 ceramics.     

Computer simulation of driven diffusive systems with exchanges

The field-driven Kawasaki model with a fractionp admixture of Glauber dynamics is studied by computer simulation:p=0 corresponds to the order-parameter-onserving driven diffusive system, whilep=1 is the equilibrium Ising model. Forp=0.1 our best estimates of critical exponents based on a system of size 4096×128 are0.22, ^RS0.45, andv v 1. These exponents differ from both the values predicted by a field-theoretic method forp=0 and those of the equilibrium Ising model. Anisotropic finite-size scaling analyses are carried out, both for subsystems of the large system and for fully periodic systems. The results of the latter, however, are inconsistent, probably due to the complexity of the size effects. This leaves open the possibility that we are in a crossover regime fromp=0 top0 and that our critical exponents are effective ones. Forp=0 our results are consistent with the predictionsv >v .     

Average coordination-number dependence of glass-transition temperature in Ge-In-Se chalcogenide glasses

Twenty-six glassy compositions, belonging to the Ge_xIn₆Se_94-x and Ge_xIn₁₂Se_88-x families of the Ge-In-Se system, were prepared from high purity constiment elements. Differential Scanning Calorimetry (DSC) measurements were carried out on these glasses. The DSC thermograms were used to determine the glass transition temperatures (T _g) for the compositions examined. TheT _g-composition dependence of the Ge_xIn₆Se_94-x family shows a minimum inT _g at a value of the average coordination number, r, equal to 2.4. For both families of the glasses examined, theT _g-r dependence displays maxima at r=2.75 and r=2.83 for Ge_xIn₆Se_94-x and Ge_xIn₁₂Se_88-x families, respectively. These results are interpreted by using the Phillips model of rigidity percolation and Chemically Ordered Covalent Network (COCN) model.     

Two-body correlations and pair formation in the two-dimensional Coulomb gas

We investigate pair correlations in the two-dimensional Coulomb gas made up of two species of point ions carrying electric charges Z₁ e(>0) and Z₂ e(<0), and interaction by the logarithmic Coulomb potential. This system is known to be classically stable for couplings=e ²/k _BTc=2/¦Z₁Z₂¦ (whereT is the temperature). Correlations between equally charged ions are shown to be greatly modified at short distances, in the range _c/2<< _c, due to gradual ion condensation. The usual integral equations for the pair correlation functions admit no solutions in that range. Preliminary Monte Carlo simulations for the symmetric case (Z₁=–Z₂) reveal a striking chemical equilibrium between tightly bound ion pairs and free ions, which is reasonably well described by a simple Bjerrum model.     

μSR studies in the heavy fermion systems UNi2Al3, UPd2Al3 and U2PtC2

We have performed Muon Spin Relaxation (SR) measurements of several heavy fermion systems: UNi₂Al₃ (single crystal), UPd₂Al₃ (single crystal) and U₂PtC₂ (polycrystal). ZF -SR measurements of UNi₂Al₃ show magnetic order below the Néel temperatureT _N=4.6K, with the muon precession frequency(T 0)=2.5MHz at low temperatures. The local field distribution obtained at low temperatures in UNi₂Al₃ resembles that of the incommensurate spin density wave (SDW) system (TMTSF)₂PF₆, suggesting an incommensurate spin arrangement in UNi₂Al₃. TF -SR measurements give the penetration depth(T 0)=6100Å for UPd₂Al₃ and(T 0)=7000Å for U₂PtC₂ respectively. Since UPd₂Al₃ and U₂PtC₂ are clean superconductors (/l-0), we can combine n _s/m^* with the Sommerfeld constant n _s ^1/3 m^* to calculate the Fermi temperatureT _F ^3/4–1/4, which represents the characteristic energy scale of the superconducting carriers. We obtainT _C/T_F 0.01 for both UPd₂Al₃ and U₂PtC₂, comparable to other exotic superconductors, but quite different from simple metal BCS superconductors, whereT _C/T_F 0.01.     

Renormalization group equations with several length scales and crossover scaling functions for axial anisotropy

The critical behaviour of axially anisotropicn-vector models is characterized by two distinct length scales, the correlation lengths and for the easy and hard axes. In order to handle the full range of anisotropics from to partial differential renormalization group equations are derived, depending on and . The anisotropicX-Y model is studied in detail near four dimensions. The crossover scaling functions for the susceptibilities are calculated to first order in=4–d. Two distinct crossover regions are found for weak and dominant anisotropy, respectively.     

Scaling of the surface tension of phase-separated polymer solutions

The tension of the interface between the equilibrium phases of a phase-separated polymer solution is obtained in the simplest mean-field approximation from the functional equation for the composition profile of the interface. For temperaturesT near the critical solution temperatureT _c, i.e., for Flory parameter near _c, and for high degrees of polymerizationN, the profile and tension scale with=N ^1/2(– _c), just as do the compositions of the coexisting phases in mean-field approximation. The surface tension in the asymptotic limitN, _c at fixedx, is found to be given bya ²/kT _c (2c'/c)^1/2 N ^-5/4(x), wherea is the lattice spacing of an underlying lattice (or, roughly, the length of a monomer),c andc are the vertical and total coordination numbers of the lattice, and(x) is a scaling function, known for allx, with the asymptotic behavior asx0 and asx. The latter implies that becomes independent ofN asN at fixedT nearT _c; the former implies that becomes proportional toN ^–1/2(1–T/T _c)^3/2 asTT _c at fixedN1, as found previously.