Phase transitions driven by quasiparticle interactions

After a survey of the solid–liquid transition, driven by phonon–phonon interactions, attention is next focussed on two phase transitions caused by electron–phonon interactions. These are (i) the Barden–Cooper–Schrieffer pure metal superconducting transition and (ii) the original Peierls instability. These have closely similar forms for the respective transition temperatures, both being related to energy gaps. Spin–phonon interactions are then discussed in relation to spin-Peierls materials. Finally, magnon–magnon interactions are treated in the context of the ferromagnetic–paramagnetic transition in the itinerant electron systems Fe, Co and Ni. Heuristic and phenomenological arguments, plus of course experiment, provide the basis for the conclusions drawn here.     

Molecular alignment of biphenyl derivatives -a computational analysis

Molecular alignment of some biphenyl derivatives likes 4'-Nitro-2-biphenylamine (NBPA), 4-Acetyl-3'-chlorobiphenyl (ACBP) and 4-Acetyl-3'-florobiphenyl (AFBP) has been examined. The CNDO/2 method has been employed to compute the net atomic charge and atomic dipole-moment components at each atomic centre. Configurational energy has been computed using a modified Rayleigh- Schrodinger perturbation method at an interval of 0.1 A° in translation and 1° in rotation, and corresponding probabilities have been calculated using MB-statistics. A comparative study of molecular parameters like the total energy, the binding energy and the total dipole moment etc., has been made. On the basis of the stacking and the in-plane interaction energy calculations, all the possible geometrical arrangements between molecular pairing have been obtained. The investigation suggests that a strong intermolecular interaction energy between a pair of NBPA molecules, and the specific minimum energy configuration, determines the alignment of molecules with respect to one another. An attempt has been made to correlate the liquid crystalline properties exhibited by this class of molecules, and thereby develop a molecular model for the liquid crystallinity.     

Ultrasonic evidence for short-range charge-ordering state in the low-doping regime of La1– x Sr x FeO3 (1/3 ≤ x ≤ 0.45)

The longitudinal ultrasonic velocity (V) and attenuation at a frequency of 10?MHz, as well as magnetization and resistivity, have been measured in the single-phase polycrystalline La_{1– x} Sr _x FeO₃ (x?=?1/3, 0.4, 0.45). Upon cooling down from high temperature, a slight softening in V and dramatic stiffening are observed in all samples, and this stiffening is coincided with a big attenuation peak. The relative increase of V is proportional to the Sr concentration, which implies that this anomaly is strongly correlated with Fe⁴⁺. However, no obvious changes in magnetic and electric properties are found at this temperature range. The analysis suggests that this feature may be caused by the Jahn–Teller effect of Fe⁴⁺ and correspond to the formation of short-range charge-ordering state.     

Deuterium-deuterium nuclear cross-sections in insulator and metallic environments

The three-dimensional Thomas-Fermi (TF) model is used to simulate the variation of the d + d → t + p cross-section at low impact energies, when the target deuterium nucleus is embedded in metallic or insulator environments. The comparison of the computational results to recent experiments demonstrates that even though the TF model can explain some increase in the low-energy cross-section for metallic host, a full explanation of the experimental results is still lacking. Possible reasons for the disagreement are discussed.     

Domain wall motion in ferromagnets modelled by a quintic complex Ginzburg-Landau equation

A quintic complex Ginzburg-Landau equation is derived from a Landau-Lifshitz-Gilbert equation and is used to describe the magnetization dynamics in a one-dimensional uni-axial ferromagnet. Trough the use of suitable approximations, we derive the magnetic solitary wave excitations solutions which have pulse-like shapes. Subsequent numerical simulations reveal domain wall propagation.     

Strong electron-phonon coupling in Be<Subscript>1−x</Subscript>B<Subscript>2</Subscript>C<Subscript>2</Subscript>: ab initio studies

Several structures for off-stoichiometric beryllium diboride dicarbide Be_1−xB₂C₂ have been designed, and their properties studied from first-principles density functional methods. Among the most stable phases examined, the layered hexagonal structures are shown to exhibit various features in the electronic properties and in the lattice dynamics reminiscent of the superconducting magnesium diboride and alkaline earth-intercalated graphites. For substoichiometric composition x ∼ 1/3, the system is found metallic with a moderately strong electron-phonon coupling through a predominant contribution arising from high frequency streching modes modulating the σ-bonding of the B-C network, and a weaker contribution at medium frequency range of the phonon spectra, arising from the intercalent motion coupled to the π-bonding states. Further, anharmonicities emerging from the proximity of the Fermi level to the σ-band edge, contributes to reduce the phonon softening hence stabilizing the structure. All these effects appear to combine favourably to produce a high temperature phonon-superconductivity.     

Nucleon charge exchange on the deuteron: A critical review

The existing experimental data on the d(n, p)nn and d(p, n)pp cross-sections in the forward direction are reviewed in terms of the Dean sum rule. It is shown that the measurement of the ratio of the charge exchange on the deuteron to that on the proton might, if taken together with other experimental data, allow a direct construction of the np → np scattering amplitude in the backward direction with few ambiguities. Communicated by T. Hennino