Magnetoquantum de Haas-van Alphen oscillations in spin-split two-dimensional Fermi liquid

Theory of magnetoquantum oscillations with spin-split structure in strongly anisotropic (two-dimensional (2D)) metal is developed in the formalism of level approach. Parametric method for exact calculation of oscillations wave forms and amplitudes, developed earlier for spin degenerate levels is generalized on a 2D electron system with spin-split levels. General results are proved: 1) proportionality relation between magnetization and chemical potential oscillations accounting for spin-split energy levels and magnetic field unperturbed levels (states of reservoir), 2) basic equation for chemical potential oscillations invariant to various models of 2D and 1D energy bands (intersecting or overlapping) and localized states. Equilibrium transfer of carriers between overlapping 2D and 1D bands, characterizing the band structure of organic quasi 2D metals, is considered. Transfer parameter, calculated in this model to be of the order of unity, confirms the fact that the wave form of oscillations in organic metals should be quasisymmetric up to ultralow temperature. Presented theory accounts for spin-split magnetization oscillations at magnetic field directions tilted relative to the anisotropic axis of a metal. Theoretical results are compared with available experimental data on organic quasi-2D metal α-(BEDT-TTF)₂KHg(SNC)₄ explaining the appearance of clear split structure under the kink magnetic field and absence above by the corresponding change in the electron g-factor rather than cyclotron mass. Received 20 December 2000 and Received in final form 13 July 2001     

Long-range atom-metal-surface interaction and interference of atomic states

The properties of two-dimensional magnetic traps for laser-cooled atoms are analysed using complex functions. The two components of the magnetic field from a series of parallel, infinitely long, current-carrying wires are represented by a single complex number. The regions of the field where paramagnetic atoms can be trapped occur where the magnetic field is zero. The locations of the zeroes of the field are obtained as the solution to a polynomial and the multiplicity m of the solution determines both the 2(m + 1)-pole nature of the trap and the field gradient through the centre. The zeroes of the field can be merged or split by varying the locations of the currents, their strengths or by applying a uniform magnetic field. The theory is applied to magnetic traps created from long thin wires or permanent magnets on a substrate. The properties of a number of magnetic trap configurations used for atom guides are discussed. Received 28 February 2001 and Received in final form 6 July 2001     

Electric dipole moments and conformations of isolated peptides

The electric dipole moments of the isolated amino acid tryptophan and small glycine-based peptides (WG_n, n = 1-5, W = tryptophan, G = glycine) have been measured by deflection of a molecular beam in an inhomogeneous electric field. The measurements are compared to the results of ab initio calculations and Monte-Carlo simulations. The conformation and the flexibility of the peptides, at different temperatures, are discussed. The WG_n peptides are much more floppy than an isolated tryptophan, even a single glycine is enough to make the peptide floppy on the timescale of the electric deflection measurements. Received 4 January 2002 Published online 13 September 2002     

Quantum chemical construction of a reduced reaction Hamiltonian and T 1 -relaxation and pure T 2 -dephasing rates for the proton transfer in 3-chlorotropolone

Separating multidimensional problems into that of a relevant system which is coupled to a bath of harmonic oscillators is a common concept in condensed phase theory. Focusing on the specific problem of intramolecular proton transfer in an isolated tropolone derivative, we consider the reactive proton moving in the plane of the molecule as the system and the remaining substrate normal modes as the bath. An all-Cartesian system-plus-substrate Hamiltonian is constructed employing density functional theory. It is then used to determine the temperature-dependent effective reduced reaction Hamiltonian and the state-to-state dissipation rates induced via the system-substrate coupling up to the bi-quadratic order. The important substrate modes for the T₁-relaxation and the pure T₂-dephasing rates, which are either intra- or inter-well in nature, are identified numerically and analyzed physically with molecular details. Received 19 November 2001 and Received in final form 19 February 2002     

Chiral magnetism of the nucleona

We study the quark mass expansion of the magnetic moments of the nucleon in a chiral effective field theory including nucleons, pions and delta-resonances as explicit degrees of freedom. We point out that the usual power counting applied so far to this problem misses important quark mass structures generated via an intermediate isovector M1 nucleon-delta transition. We propose a modified power counting and compare the resulting chiral extrapolation function to available (quenched) lattice data. The extrapolation is found to work surprisingly well, given that the lattice data result from rather large quark masses. Our calculation raises the hope that extrapolations of lattice data utilizing chiral effective field theory might be applicable over a wider range in quark masses than previously thought, and we discuss some open questions in this context. Furthermore, we observe that within the current lattice data uncertainties the extrapolations presented here are consistent with the Padé fit ansatz introduced by the Adelaide group a few years ago. Received: 23 April 2002 / Accepted: 18 July 2002 / Published online: 17 December 2002 RID="c" ID="c"e-mail: themmert@physik.tu-muenchen.de RID="d" ID="d"e-mail: weise@ect.it Communicated by A. Sch?fer     

Non perturbative approach for a polar and polarizable linear molecule in an inhomogeneous electric field: Application to molecular beam deviation experiments

A non perturbative approach is used to solve the problem of a rigid linear molecule with both a permanent dipole moment and a static dipole polarizability, in a static electric field. Eigenenergies are obtained and compared to perturbative low field and high field approximations. Analytical expressions for the orientation parameters and for the gradient of the energy are given. This non perturbative approach is applied to the simulation of beam deviation experiments in strong electric field. Results of simulations are given for inhomogeneous alkali dimers. For LiNa, the simulations are compared to experimental data. For LiK, deviation profiles have been simulated in order to prepare future experiments on this molecule. Received 21 July 1999 and Received in final form 22 September 1999     

Molecular beam deflection experiments on mixed clusters

Gas phase Ti-C₆₀ clusters are studied by molecular beam electric deflection. The permanent dipole moment of the TiC₆₀ molecule is determined. It is equal to 8.1±1.5 D. This dipole is due to a transfer of electron from the transition metal atom to the C₆₀ cage. No dipole is observed for Ti(C₆₀)₂ molecules. This is in agreement with the symmetrical dumbbell-like structure that has been previously proposed. Received 22 November 2000     

Evaluation of forces in magnetic materials by means of energy and co-energy methods

The evaluation of the total force of magnetic origin acting upon a body in a stationary magnetic field is often carried out using the so-called magnetic energy (or co-energy) method, which is based on the derivation of the magnetic energy (or co-energy) with respect to a virtual rigid displacement of the considered body. The application of this method is usually justified by resorting to the energy conservation principle, written in terms both of electrical and of mechanical quantities. In this paper we shall re-examine the whole matter in the context of classical thermodynamics, in order to obtain a more comprehensive and general proof of the validity of the energy (or co-energy) approach and to point out its limitations. Two typical configurations will be discussed; in the first one, the field sources are represented by conducting bodies carrying free currents, whereas in the second one a permanent magnet creates the driving field. All magnetic materials are assumed to be non-hysteretic and permanent magnets are represented by means of the well-known linear model in the second quadrant of the (B,H) plane. Received 25 July 2001 and Received in final form 5 November 2001     

Random phase approximation and extensions applied to a bosonic field theory

An application of a self-consistent version of RPA to quantum field theory with broken symmetry is presented. Although our approach can be applied to any bosonic field theory, we specifically study the ϕ⁴ theory in 1 + 1 dimensions. We show that the standard RPA approach leads to an instability which can be removed when going to a superior version, i.e. the renormalized RPA. We present a method based on the so-called charging formula of the many-electron problem to calculate the correlation energy and the RPA effective potential. Received: 18 February 2002 / Accepted: 8 May 2002     

The influence of the dynamics of ionic multiplets onto electronic transport properties of heavy-fermion systems: a semi-phenomenological approach

We present calculations of the electronic transport properties of heavy-fermion systems within a semi-phenomenological approach to the dynamical mean field theory. In this approach the dynamics of the Hund's rules 4f (5f )-ionic multiplet split in a crystalline environment is taken into account. Within the scope of this calculation we use the linear response theory to reproduce qualitative features of the temperature-dependent resistivity and hall conductivity, the magneto-resistivity and the thermoelectric power typical for heavy-fermion systems. The model calculations are directly compared with experimental results on CeCu ₂ Si ₂. Received 30 June 2000 and Received in final form 15 December 2000     

Switching of banana liquid crystal mesophases under field

Taking advantage of the great number of bent-core or “banana" compounds synthesized and studied in the laboratory, we describe their behaviour under the application of an external electric field. If the field were a static one, we would work within the frame of an equilibrium phase diagram in a (field E, temperature T) space where some phases would be simple dielectrics and others ferroelectric ones with a macroscopic polarization, either spontaneous or induced by the field. In this paper, we deal with the basic responses of “banana” liquid crystals under the application of a low frequency (1 to 100 Hz) AC field. Firstly square-wave voltages allow us to locate the phase boundary between dielectric (at lower field) and ferroelectric phases (higher field) at a given temperature and field threshold. Then we apply slowly varying AC voltages with shapes like triangle or “triple-plateau” to check out the stability of the induced ferroelectric phase versus field removal. Three behaviours are encountered, the unstable one (short lifetime of the high-field ferroelectric phase) where the macroscopic polarization is destroyed and then rebuilt in the opposite direction during each half period and usually called “antiferroelectric”; the stable one (long lifetime) with a polarization that rotates at constant modulus which is labeled as “ferroelectric” and a new one where the macroscopic polarization is proportional to the applied fied, we named this behaviour as “superparaelectric”. Let us stress that these observations apply to the ferroelectric phases of the (E, T) phase diagram not to the zero field (0,T) phases observed in the usual phase characterization experiments except for an eventual spontaneous ferroelectric phase. Received 18 April 2002 and Received in final form 17 January 2003 Published online: 16 April 2003 RID="a" ID="a"e-mail: marcerou@crpp.u-bordeaux.fr RID="b" ID="b"URL: http://www.crpp-bordeaux.cnrs.fr     

Drift of a polymer chain in a porous medium --A Monte Carlo study

We investigate the drift of an end-labeled telehelic polymer chain in a frozen disordered medium under the action of a constant force applied to the one end of the macromolecule by means of an off-lattice bead spring Monte Carlo model. The length of the polymers N is varied in the range 8 < N < 128, and the obstacle concentration in the medium C is varied from zero up to the percolation threshold C≈ 0.75. For field intensities below a C-dependent critical field strength B _c, where jamming effects become dominant, we find that the conformational properties of the drifting chains can be interpreted as described by a scaling theory based on Pincus blobs. The variation of drag velocity with C in this interval of field intensities is qualitatively described by the law of Mackie-Meares. The threshold field intensity B _c itself is found to decrease linearly with C. Received 20 August 2001 and Received in final form 19 November 2001     

Electrophoresis of a charge-inverted macroion complex: Molecular-dynamics study

We have performed molecular-dynamics simulations to study the effect of an external electric field on a macroion in the solution of multivalent Z : 1 salt. To obtain plausible hydrodynamics of the medium, we explicitly make the simulation of many neutral particles along with ions. In a weak electric field, the macroion drifts together with the strongly adsorbed multivalent counterions along the electric field, in the direction proving inversion of the charge sign. The reversed mobility of the macroion is insensitive to the external field, and increases with salt ionic strength. The reversed mobility takes a maximal value at intermediate counterion valence. The motion of the macroion complex does not induce any flow of the neutral solvent away from the macroion, which reveals screening of hydrodynamic interactions at short distances in electrolyte solutions. A very large electric field, comparable to the macroion unscreened field, disrupts charge inversion by stripping the adsorbed counterions off the macroion. Received 5 December 2001 and Received in final form 10 April 2002     

Relation between vortex excitation and thermal conductivity in superconductors

Thermal conductivity κ _xx(T) under a field is investigated in d _{x2 - y2}-wave superconductors and isotropic s-wave superconductors by the linear response theory, using a microscopic wave function of the vortex lattice states. To study the origin of the different field dependence of κ_xx(T) between higher and lower temperature regions, we analyze the spatially-resolved thermal conductivity around a vortex at each temperature, which is related to the spectrum of the local density of states. We also discuss the electric conductivity in the same formulation for a comparison. Received 8 December 2001 and Received in final form 20 March 2002 Published online 6 June 2002     

Phase transition and random-field induced domain wall response of SrTi O 3

The dielectric permittivity ε^′ - i of SrTi ¹⁸O ₃ (STO18) is studied under a dc electric field E as a function of the temperature, T. In ε^′ vs. T, a double-peak is found when 0 < E < 30 KV/m. While the peak at high-T is attributed to the smeared ferroelectric phase transition, the low-T one is induced by domain wall motion. The transverse Ising model including an external homogeneous and quenched random-fields is successfully used to describe both the smeared phase transition and the domain wall response in the low-T domain state. The calculations are in good agreement with the experimental results. Received 4 January 2002 / Received in final form 25 March 2002 Published online 19 July 2002     

Magnetic moment and radius of the nucleon in a nonlocal model of meson-nucleon interaction

Magnetic moment and radius of the nucleon are calculated in a nonlocal extension of the chiral linear σ-model. Properties of the nonlocal model under the vector and axial transformations are considered. The conserved electromagnetic and vector currents, and partially conserved axial vector current are obtained. In the calculation of the nucleon electromagnetic vertex the π- and σ-loop diagrams are included. Contribution from vector mesons is added in the vector meson dominance model with a gauge-invariant photon-meson coupling. The nonlocality parameter associated with the πN interaction is fixed from the experimental magnetic moment of the neutron. Other parameters (nonlocality parameter for the σN interaction and the mass of the σ-meson) are constrained by the magnetic moment of the proton. The calculated electric and magnetic mean-square radii of the proton and neutron are in satisfactory agreement with experiment. Received: 12 February 2001 / Accepted: 4 September 2001     

Implementation of a sapphire cell with external electrodes for laser excitation of a forbidden atomic transition in a pulsed E-field

We demonstrate the production of an electric field inside a high temperature cesium vapor cell with external electrodes. This external control of the electric field, which is not possible with a glass cell in presence of a cesium vapor, is achieved using a cell made of sapphire, and is of particular interest for our ongoing Parity Violation experiment. We describe the main components and the implementation on the set-up, including the pulsed high voltage generator. With pulse duration not exceeding 200 ns the system provides a reversible longitudinal E-field of up to 2 kV/cm in the vapor at a density of ∼ 2×10¹⁴ at/cm³ without discharge. Atomic signals attest the application of the electric field in the cell, with the predicted value. Further improvements obtained with sapphire cells are also presented. Received 15 September 2000     

Electronic correlation effects on the properties of an half-filled octahedron cluster in a magnetic field

The present study focuses on electronic correlation effects on magnetic energy, the spin-spin correlation function of an octahedron cluster in the (3↑, 3 ↓) electronic configuration threaded by a magnetic field. Some other spin configurations are also discussed and various field directions are considered. An accurate diagonalisation technique has been used to solve the Hubbard Hamiltonian. A result is analysed on a linear energy stabilisation at low magnetic flux. Moreover, two types of antiferromagnetic transition versus the flux occurring for a correlation term larger than a critical one have been observed, i.e. the likelihood of a charge excitation before the antiferromagnetic transition. Finally, a comparison between the results obtained from the exact diagonalisation and the Gutzwiller method has been carried out, leading to a suggested modification of the Gutzwiller approach in order to improve it. Received 23 June 1999 and Received in final form 28 July 2000     

Ultrafast multidimensional dynamics of strong hydrogen bonds

The laser driven dynamics of the OH(D) stretching vibration in phthalic acid monomethylester is investigated. The combination of a 55-dimensional all-Cartesian reaction surface Hamiltonian and the time-dependent self-consistent field approach is shown to provide a microscopic picture of intramolecular vibrational energy redistribution taking place upon interaction with an external laser field. Choosing suitable zeroth-order vibrational states and combinations thereof a quasi-periodic in-phase and out-of-phase oscillatory behavior is observed manifesting energy flow on different time scales. The fingerprints of this behavior in transient absorption spectroscopy are also discussed. Received 24 August 2000 and Received in final form 11 October 2000