Band gaps and charge distribution in quasi-binary (GaSb) (InAs) crystals

Pseudopotential investigation of energy band gaps and charge distribution in quasi-binary (GaSb)_1-x(InAs)_x crystals has been reported. To the best of our knowledge, there had been no reported theoretical work on these materials. In agreement with experiment, the quasi-binary crystals of interest showed a significant narrowing of the optical band gap compared to the conventional Ga_xIn_1-xAs_ySb_1-y quaternary alloys (with x = 1 - y). Moreover, the absorption at the optical gaps indicated that (GaSb)_1-x(InAs)_x is a direct Γ to Γ band-gap semiconductor within a whole range of the x composition. The information derived from the present study predicts that the band gaps cross very important technological spectral regions and could be useful for thermophotovoltaic applications. Received 30 August 2002 Published online 1st April 2003 RID="a" ID="a"Present address: Physics Department, University of M'sila, 28000 M'sila, Algeria e-mail: N_Bouarissa@yahoo.fr     

Dynamical properties of the slithering-snake algorithm: A numerical test of the activated-reptation hypothesis

Correlations in the motion of reptating polymers in a melt are investigated by means of Monte Carlo simulations of the three-dimensional slithering-snake version of the bond-fluctuation model. Surprisingly, the slithering-snake dynamics becomes inconsistent with classical reptation predictions at high chain overlap (created either by chain length N or by the volume fraction φ of occupied lattice sites), where the relaxation times increase much faster than expected. This is due to the anomalous curvilinear diffusion in a finite time window whose upper bound (N) is set by the density of chain ends φ/N. Density fluctuations created by passing chain ends allow a reference polymer to break out of the local cage of immobile obstacles created by neighboring chains. The dynamics of dense solutions of “snakes” at t ≪ is identical to that of a benchmark system where all chains but one are frozen. We demonstrate that the subdiffusive dynamical regime is caused by the slow creeping of a chain out of its correlation hole. Our results are in good qualitative agreement with the activated-reptation scheme proposed recently by Semenov and Rubinstein (Eur. Phys. J. B, 1 (1998) 87). Additionally, we briefly comment on the relevance of local relaxation pathways within a slithering-snake scheme. Our preliminary results suggest that a judicious choice of the ratio of local to slithering-snake moves is crucial to equilibrate a melt of long chains efficiently. Received: 18 December 2002 / Accepted: 3 April 2003 / Published online: 12 May 2003 RID="a" ID="a"e-mail: jwittmer@dpm.univ-lyon1.fr RID="b" ID="b"Current address: University of Illinois at Urbana-Champaign.     

Polar Kerr rotation of the ferromagnet

Magneto-optical data on EuB ₆ , a ferromagnet with a Curie temperature T _C ∼ 15 K, are presented and discussed in detail. We have measured the polar Kerr rotation, covering a spectral range from the infrared up to the ultraviolet, as a function of temperature between 1.5 and 20 K and in external magnetic fields between 0 and 10 T. The Kerr rotation in high fields and at low temperatures is enormous. Our observations, which implicitly reflect the large magnetoresistive effects, are shown to discriminate between the spectroscopic response of localized and itinerant electronic states. Our data analysis is based on the phenomenological Lorentz-Drude model, following from the classical dispersion theory and appropriately extended to magneto-optical experiments. Received 30 January 2003 / Received in final form 21 March 2003 Published online 23 May 2003 RID="a" ID="a"e-mail: degiorgi@solid.phys.ethz.ch     

Quadrupole collectivity of neutron-rich neon isotopes

The Angular Momentum Projected Generator Coordinate Method, with the quadrupole moment as collective coordinate and the Gogny force (D1S) as the effective interaction, is used to describe the properties of the ground state and low-lying excited states of the even-even neon isotopes ^20-34Ne, that is, from the stability valley up to the drip line. It is found that the ground state of the N = 20 nucleus ³⁰Ne is deformed but to a lesser extent than the N = 20 isotope of the magnesium. In the calculations, the isotope ³²Ne is at the drip line in good agreement with other theoretical predictions. On the other hand, rather good agreement with experimental data for many observables is obtained. Received: 19 Novemeber 2002 / Accepted: 24 January 2003 / Published online: 8 April 2003     

Possible phases of the two-dimensional Hubbard model

We present a stability analysis of the 2D t - t' Hubbard model on a square lattice for various values of the next-nearest-neighbor hopping t' and electron concentration. Using the free energy expression, derived by means of the flow equations method, we have performed numerical calculation for the various representations under the point group C _4ν in order to determine at which temperature symmetry broken phases become more favorable than the symmetric phase. A surprisingly large number of phases has been observed. Some of them have an order parameter with many nodes in -space. Commonly discussed types of order found by us are antiferromagnetism, d _{x2 - y2} -wave singlet superconductivity, d-wave Pomeranchuk instability and flux phase. A few instabilities newly observed are a triplet analog of the flux phase, a particle-hole instability of p-type symmetry in the triplet channel which gives rise to a phase of magnetic currents, an s^*-magnetic phase, a g-wave Pomeranchuk instability and the band splitting phase with p-wave character. Other weaker instabilities are found also. A comparison with experiments is made. Received 25 July 2002 / Received in final form 28 November 2002 Published online 14 February 2003 RID="a" ID="a"Current address: Département de physique and Centre de recherche sur les propriétés électroniques de matériaux avancés, Université de Sherbrooke, Sherbrooke, Québec, Canada J1K 2R1 e-mail: vaha@physique.usherb.ca     

Coherent transport through intramolecular junction of single-wall carbon nanotubes

We have constructed four types single-wall carbon nanotube intramolecular junctions (IMJs) of (5,5)/(8,0), (5,5)/(10,0), (5,5)/(9,0)A, and (5,5)/(9,0)B along a common axis, and calculated their electronic and transport properties using a tight binding-based Green's function approach that is particular suitable for realistic calculation of electronic transport property in extended system. Our results show that quasi-localized states can appear in the metal/semiconductor heterojunctions ((5,5)/(8,0) and (5,5)/(10,0)junctions), which is desirable for the design of a quantum device; and the conductance of M-M IMJs is very sensitive to the connectivity of the matching tubes, certain configurations of connection completely stop the flow of electron, while others permit the transmission of the current through the interface. These results may have implications for the device assembly and manipulation process of all carbon nanotubes-based microelectronic elements. Received 14 January 2003 / Received in final form 25 February 2003 Published online 4 June 2003 RID="a" ID="a"e-mail: lfyzz@yahoo.com.cn     

Wigner lattice of ripplopolarons in a multielectron bubble in helium

The properties of ripplonic polarons in a multielectron bubble in liquid helium are investigated on the basis of a path-integral variational method. We find that the two-dimensional electron gas can form deep dimples in the helium surface, or ripplopolarons, to solidify as a Wigner crystal. We derive the experimental conditions of temperature, pressure and number of electrons in the bubble for this phase to be realized. This predicted state is distinct from the usual Wigner lattice of electrons: it melts by dissociation of the ripplopolarons when the electrons shed their localizing dimple as the pressure on the multielectron bubble drops below a critical value. Received 20 February 2003 Published online 11 April 2003 RID="a" ID="a"Also at: TU Eindhoven, Eindhoven, The Netherlands e-mail: devreese@uia.ua.ac.be     

A novel electron scattering apparatus combining a laser photoelectron source and a triply differentially pumped supersonic beam target: characterization and results for the resonance

A novel electron scattering apparatus for high resolution studies of angle-differential elastic and inelastic electron scattering from atoms and molecules in the gas phase is described and its performance characterized. It combines a laser photoelectron source, a triply differentially pumped collimated supersonic beam target (half angle 0.015 rad, background to beam density ratio < 0.01), and several electron multipliers for simultaneous detection of elastically scattered electrons and metastable atoms (or molecules) due to inelastic scattering. In detailed test measurements of the yield for the production of metastable He^*(2³S₁) atoms around its threshold, the dependence of the overall energy width on various experimental parameters has been investigated. So far a resolution down to 7 meV (FWHM) has been obtained. Under such conditions we have investigated the profile of the He^- (1 s 2 s ^{2 2} S _1/2 ) resonance at the scattering angles 22 ^° , 45 ^° , and 90 ^° . From a consistent fit of the measured profiles by resonant scattering theory we determine a new value for the resonance energy ( E _r = 19.365(1) eV) and an accurate resonance width ( Γ = 11.2(5) meV). These results are consistent with the previously recommended values. Received 23 July 2002 Published online 29 October 2002 RID="a" ID="a"e-mail: hotop@physik.uni-kl.de RID="b" ID="b"Permanent address: Department of Physics and Astronomy, Drake University, Des Moines, IA 50311, USA.     

Optical properties of the quasi-two-dimensional dichalcogenides 2H-TaSe and 2H-NbSe

We present a comprehensive analysis of the optical constants of the two-dimensional dichalcogenide materials 2 H - TaSe ₂ and 2 H - NbSe ₂ , in an attempt to address the physics of two-dimensional correlated systems. The title compounds were studied over several decades in frequency, from the far-infrared to the ultraviolet. Measurements with linearly polarized light have allowed us to obtain both the in-plane and out-of-plane components of the conductivity tensor. Although the electromagnetic response of dichalcogenides is strongly anisotropic, both the in-plane and out-of-plane components of the conductivity tensor share many common features, including the presence of a well-defined metallic component, as well as a “mid-infrared band”. We discuss the implications of these results in the context of the spectroscopic results of other classes of low-dimensional conductors such as the high-temperature superconducting cuprates. In particular, the analysis of the redistribution of the spectral weight as a function of temperature, as well as the behavior of the quasiparticles relaxation rate, points to significant distinctions between the charge dynamics of dichalcogenides and other classes of low dimensional conductors. Received 28 October 2002 / Received in final form 10 March 2003 Published online 23 May 2003 RID="a" ID="a"e-mail: degiorgi@solid.phys.ethz.ch     

Evidence for a solid phase of dodecahedral C 20

Evidence is presented for the formation of a solid phase based on the smallest fullerene, C₂₀, in thin diamond-like carbon films deposited by ultraviolet laser ablation from diamond onto nickel substrates at room temperature in the presence of 10^-4 torr of cyclohexane or benzene. Laser desorption mass spectrometry from the films shows the presence of C₂₀, C₂₁ and C₂₂ species, while micro-Raman spectroscopy and electron diffraction from selected particles together with first principle density-functional calculations, indicate a cubic solid with dodecahedral C₂₀ cages as building blocks. Unlike solid C₆₀ and fully protonated C₂₀, which are bound by van der Waals forces, the proposed structure is stabilized by linking of the C₂₀ dodecahedra with bridging carbon atoms at interstitial tetrahedral sites to form a face-centered-cubic lattice with 22 carbon atoms per unit cell. Received 10 October 2002 / Received in final form 24 December 2002 Published online 6 March 2003 RID="a" ID="a"e-mail: zafar.iqbal@njit.edu     

Stark broadening of the hydrogen Paschen <Emphasis Type="Bold">γ</Emphasis> transition at electron densities of the order of cm

Stark broadening measurements and calculations of the Paschen γ spectral line of hydrogen ( λ = 1.094[: MU :] m) are reported. Investigations have been performed at plasma electron densities between 1.4×10 ¹⁵ cm ^-3 and 3.7×10 ¹⁵ cm ^-3 . As the light source a wall-stabilized arc operated in a helium-hydrogen gas mixture at atmospheric pressure has been applied. The radiation of the plasma emitted from nearly homogeneous plasma layers in end-on direction, was measured with the use of a grating spectrometer equipped with a charge coupled device (CCD) detector. The radiance calibration was carried out against light outputs originating from a tungsten strip radiation standard. The measured FWHM are compared with results of our calculations based on computer simulation techniques (full computer simulation method -- FCSM). Our broadening data are also compared with results of other theoretical approaches (MM-method, quasi-static approximation) and with experimental data obtained at electron densities about one order of magnitude larger than ours. Received 21 January 2003 Published online 24 April 2003 RID="a" ID="a"e-mail: wujec@uni.opole.pl     

Monte Carlo simulations of the classical two-dimensional discrete frustrated model

The classical two-dimensional discrete frustrated φ ⁴ model is studied by Monte Carlo simulations. The correlation function is obtained for two values of a parameter d that determines the frustration in the model. The ground state is a ferro-phase for d = - 0.35 and a commensurate phase with period N = 6 for d = - 0.45. Mean field predicts that at higher temperature the system enters a para-phase via an incommensurate state, in both cases. Monte Carlo data for d = - 0.45 show two phase transitions with a floating-incommensurate phase between them. The phase transition at higher temperature is of the Kosterlitz-Thouless type. Analysis of the data for d = - 0.35 shows only a single phase transition between the floating-fluid phase and the ferro-phase within the numerical error. Received 16 December 2002 / Received in final form 17 January 2003 Published online 6 March 2003 RID="a" ID="a"e-mail: vladimir@shg.ru     

Composite spin-triplet superconductivity in an symmetric lattice model

The two-channel Anderson lattice model which has SU (2) ⊗ SU (2) symmetry is of relevance to understanding of the magnetic, quadrupolar and superconducting phases in U_1-xTh_xBe₁₃ or Pr based skutterudite compounds such as PrFe₄P₁₂ or PrOs₄Sb₁₂. Possible unconventional superconducting phases of the model are explored. They are characterized by a composite order parameter comprising of a local magnetic or quadrupolar moment and a triplet conduction electron Cooper-pair. This binding of local degrees of freedom removes the entropy of the non Fermi-liquid normal state. We find superconducting transitions in the intermediate valence regime which are suppressed in the stable moment regime. The gap function is non analytic and odd in frequency: a pseudo-gap develops in the conduction electron density of states which vanishes as |ω| close to ω = 0. In the strong intermediate valent regime, the gap function acquires an additional -dependence. Received 28 February 2002 / Received in final form 18 April 2002 Published online 9 July 2002     

Interaction between aromatic amine cations and nonpolar solvents: Infrared spectra of isomeric aniline -Ar n ( ) complexes

Infrared (IR) photodissociation spectra of the aniline⁺-Ar_n cations, An ⁺ - Ar _n (n = 1, 2), are analyzed in the vicinity of the N-H stretch fundamentals. The complexes are produced in an electron impact (EI) ion source which produces predominantly the most stable cluster isomers. Two isomers of An⁺-Ar are identified by their characteristic N-H stretch frequencies: the planar proton-bound global minimum, in which the Ar ligand forms a nearly linear H-bond to the amino group, and the less stable π-bound local minimum, in which the Ar atom is attached to the π-electron system of the aromatic ring. This result is the first unambiguous detection of the most stable H-bound An⁺-Ar dimer. All previous spectroscopic studies of An⁺-Ar employed resonance enhanced multiphoton ionization (REMPI) of neutral An-Ar and identified only the less stable π-bound cation due to restrictions arising from the Franck-Condon principle. The EI-IR spectrum of An⁺-Ar₂ shows that the most stable structure of this trimer features two equivalent H-bonds (C_2v symmetry). The interpretation of the experimental data is supported by quantum chemical calculations. The ab initio potential of An⁺-Ar calculated at the UMP2/6-311G(2df, 2pd) level features H-bound global minima ( D _e = 513 cm^-1) and π-bound local minima ( D _e = 454 cm^-1), with a barrier of V _b ≈ 140 cm^-1 for isomerization from the π-bound toward the H-bound minimum. Received 4 February 2002 Published online 13 September 2002     

The high-pressure <Emphasis Type="Bold">α/β</Emphasis> phase transition in lead sulphide (PbS)

The high-pressure behaviour of PbS was investigated by angular dispersive X-ray powder diffraction up to pressures of 6.8 GPa. Experiments were accompanied by first principles calculations at the density functional theory level. By combining both methods reliable data for the elastic properties of rock-salt type α- and high-pressure β-PbS could be obtained. β-PbS could be determined to crystallise in the CrB-type (B33), with space group Cmcm. The reversible ferro-elastic α/β transition is of first order. It is accompanied by a large volume discontinuity of about 5% and a coexistence region of the two phases. A gliding mechanism of {001} bilayers along one of the cubic 〈110〉 directions governs the phase transition which can be described in terms of group/subgroup relationships via a common subgroup, despite its reconstructive character. The quadrupling of the primitive unit cell indicates a wave vector (0, 0,π/ a ) on the Δ-line of the Brillouin zone. Received 11 October 2002 Published online 14 February 2003 RID="a" ID="a"Also at: Institute of Physics of the Czech Academy of Sciences, Cukrovarnicka 10, 16253 Praha 6, Czech Republic e-mail: knorr@min.uni-kiel.de RID="b" ID="b"Present address: University of Cambridge, Cavendish Laboratory (TCM), Madingley Road, Cambridge CB3 0HE, UK RID="c" ID="c"Present address: Johann-Wolfgang Goethe Universit?t, Mineralogisches Institut, Kristallographie, Senckenberganlage 30, D 60054 Frankfurt a.M., Germany     

Isomerization and dissociation of small (CH <Emphasis Type="Bold">3</Emphasis>CN) <Emphasis Type="Bold">n</Emphasis> molecular clusters: a computational study

The isomerization and evaporation processes in the neutral homogeneous (CH₃CN)_n molecular clusters (n = 2-7) have been investigated using classical molecular dynamics simulations. The evaporation rate constants and the kinetic energy release in the dissociation have been analysed as a function of the cluster size and as a function of the internal energy in the parent cluster. The competition between monomer and dimer ejections has been also carefully studied. All the dynamical properties in these dissociative processes have been discussed in relation to the static properties of the clusters involved in the dissociation and also in relation to the solid-liquid like transition which appears in these homogeneous molecular clusters. Received 19 November 2002 / Received in final form 5 February 2003 Published online 29 April 2003 RID="a" ID="a"e-mail: pascal.parneix@ppm.u-psud.fr RID="b" ID="b"Laboratoire associé à l'université Paris-Sud.     

Superconductivity of SrTiO

Superconducting SrTiO _{3 - δ} was obtained by annealing single crystalline SrTiO₃ samples in ultra high vacuum. An analysis of the V ( I ) characteristics revealed very small critical currents I _c which can be traced back to an unavoidable doping inhomogeneity. R ( T ) curves were measured for a range of magnetic fields B at I ≪ I _c , thereby probing only the sample regions with the highest doping level. The resulting curves B _c2 ( T ) show upward curvature, both at small and strong doping. These results are discussed in the context of bipolaronic and conventional superconductivity with Fermi surface anisotropy. We conclude that the special superconducting properties of SrTiO _{3 - δ} can be related to its Fermi surface and compare this finding with properties of the recently discovered superconductor MgB₂. Received 4 December 2002 / Received in final form 10 March 2003 Published online 23 May 2003 RID="a" ID="a"e-mail: jourdan@uni-mainz.de     

Phase diagram of the spin extended model

The quantum phase transition in the ground state of the extended spin S = 1/2 XY model has been studied in detail. Using the exact solution of the model the low temperature thermodynamics, as well as the ground state phase diagram of the model in the presence of applied uniform and/or staggered magnetic field are discussed. Received 29 November 2002 / Received in final form 24 February 2003 Published online 11 April 2003 RID="a" ID="a"e-mail: japa@iph.hepi.edu.ge