Theory of the mixed valent state

After briefly discussing the question of a distinct mixed valent state and theoretical models for it, the area of greatest theoretical success, namely the mixed valent impurity, is reviewed. Applications to spectroscopy, energetics and Hall effect are then putlined. The independent impurity approximation is inadequate for many properties of the bulk system, which depend on lattice coherence. A recent auxiliary or slave boson approach with a simple mean field limit and fluctuation corrections is summarized. Finally the mixed valent semiconductor is discussed as an outstanding problem.

Fluctuation Theory Of The Specific-Heat Of Normal Liquid-3He

The measured specific heat of normal liquid 3He shows a plateau for 0.15<1 K; below 0.15 K and above 1 K, it rises linearly with temperature. However, the slope on the high-temperature side is very much reduced compared with the free-Fermi-gas value. We explain these features through a microscopic, thermal spin- and density-fluctuation model. The plateau is due to spin fluctuations which have a low characteristic energy in 3He. Because of the low compressibility, the density fluctuations are highly suppressed; this leads to a reduced slope for CV(T) for high temperatures.

A theory of the upper critical field in antiferromagnetic superconductors

A generalized Ginzburg-Landau approach is used to study the nonmonotonic temperature dependence of the upper critical field H c 2(T) in antiferromagnetic superconductors RE(Mo)6S8; RE = Dy, Tb, Gd. It is found that electrodynamic effects incorporated through screening and indirect coupling between the staggered magnetization M Q (T) and superconducting order parameter psgr cannot explain the observed nonmonotonicity. This suggests that the direct coupling between the two order parameters should be considered to understand the experimental results, a finding which is consistent with recent microscopic calculations.

Theory of the non-planar peptide unitstar, open

By means of CNDO/2 calculations on N-methyl acetamide, it is shown that the state of minimum energy of the trans-peptide unit is a non-planar conformation, with the NH and NC2α bonds being significantly out of the plane formed by the atoms C1α, C′, O and N.

Theory of the unusual doping and temperature dependence of photoemission spectra in manganites

A recent, major, puzzle in the core-level photoemission spectra of doped manganites is the observation of a 1–2 eV wide shoulder with intensity varying with temperature T as the square of the magnetization over a T scale of order 200 K, an order of magnitude less than electronic energies. This is addressed and resolved here, by extending a recently proposed two-fluid polaron–mobile electron model for these systems to include core-hole effects. The position of the shoulder is found to be determined by Coulomb and Jahn-Teller energies, while its spectral weight is determined by the mobile electron energetics which is strongly T and doping dependent, due to annealed disorder scattering from the polarons and the t2g core spins. Our theory accounts quantitatively for the observed T dependence of the difference spectra, and furthermore, explains the observed correspondence between spectral changes due to increasing doping and decreasing T.

On the theory of the indentation test for the measurement of tensile strength of brittle materials

A theoretical solution has been obtained for the state of stress in a rectangular plate under a pair of symmetrically placed rigid indenters. The stress distributions along the two central axes have been calculated for a square plate assuming the pressure distribution under the indenters as uniform, parabolic and one resulting from 'constant displacement' on a semiinfinite boundary, for different ratios of indenter-width to side of square. The results are compared with those of photoelastic analysis of Berenbaum and Brodie and the validity of the solution is discussed. The solution has been extended to orthotropic materials and numerical results for one type of coal are given.

Phenomenological theory of the kinetics of ultrasonic emulsification

A working model is given for the rate of ultrasonic emulsification, considering the dispersion at the interface (area A) and the coagulations in the volume V of the emulsion. A bimolecular coagulation leads to the equation c=c∞tanh bt;c∞=(Aα/Vβ)1/2;b=(Aαβ/V)1/2 while a monomolecular coagulation gives c=c∞{1-exp (-at)};c∞=Aα/Vβ;a=β. The experiments on the dependence of c∞, a and b upon A and V favour the bimolecular coagulation. The results are satisfactorily explained on general theoretical grounds.

Theory of the effects of destruction of localization by inelastic scattering in the resistivity of pure thin potassium wires

Measurements of the electrical resistivity of thin potassium wires at temperatures near 1 K have revealed a minimum in the resistivity as a function of temperature. By proposing that the electrons in these wires have undergone localization, albeit with large localization length, and that inelastic-scattering events destroy the coherence of that state, we can explain both the magnitude and shape of the temperature-dependent resistivity data. Localization of electrons in these wires is to be expected because, due to the high purity of the potassium, the elastic mean free path is comparable to the diameters of the thinnest samples, making the Thouless length lT (or inelastic diffusion length) much larger than the diameter, so that the wire is effectively one dimensional. The inelastic events effectively break the wire into a series of localized segments, whose resistances can be added to obtain the total resistance of the wire. The ensemble-averaged resistance for all possible segmented wires, weighted with a Poisson distribution of inelastic-scattering lengths along the wire, yields a length dependence for the resistance that is proportional to [L3/lin(T)], provided that lin(T)?L, where L is the sample length and lin(T) is some effective temperature-dependent one-dimensional inelastic-scattering length. A more sophisticated approach using a Poisson distribution in inelastic-scattering times, which takes into account the diffusive motion of the electrons along the wire through the Thouless length, yields a length- and temperature-dependent resistivity proportional to (L/lT)4 under appropriate conditions. Inelastic-scattering lifetimes are inferred from the temperature-dependent bulk resistivities (i.e., those of thicker, effectively three-dimensional samples), assuming that a minimum amount of energy must be exchanged for a collision to be effective in destroying the phase coherence of the localized state. If the dominant inelastic mechanism is electron-electron scattering, then our result, given the appropriate choice of the channel number parameter, is consistent with the data. If electron-phason scattering were of comparable importance, then our results would remain consistent. However, the inelastic-scattering lifetime inferred from bulk resistivity data is too short. This is because the electron-phason mechanism dominates in the inelastic-scattering rate, although the two mechanisms may be of comparable importance for the bulk resistivity. Possible reasons why the electron-phason mechanism might be less effective in thin wires than in bulk are discussed.

A Theory of the Lifted Temperature Minimum on Calm Clear Nights

Numerous reports from several parts of the world have confirmed that on calm clear nights a minimum in air temperature can occur just above ground, at heights of the order of $\frac{1}{2}$ m or less. This phenomenon, first observed by Ramdas & Atmanathan (1932), carries the associated paradox of an apparently unstable layer that sustains itself for several hours, and has not so far been satisfactorily explained. We formulate here a theory that considers energy balance between radiation, conduction and free or forced convection in humid air, with surface temperature, humidity and wind incorporated into an appropriate mathematical model as parameters. A complete numerical solution of the coupled air-soil problem is used to validate an approach that specifies the surface temperature boundary condition through a cooling rate parameter. Utilizing a flux-emissivity scheme for computing radiative transfer, the model is numerically solved for various values of turbulent friction velocity. It is shown that a lifted minimum is predicted by the model for values of ground emissivity not too close to unity, and for sufficiently low surface cooling rates and eddy transport. Agreement with observation for reasonable values of the parameters is demonstrated. A heuristic argument is offered to show that radiation substantially increases the critical Rayleigh number for convection, thus circumventing or weakening Rayleigh-Benard instability. The model highlights the key role played by two parameters generally ignored in explanations of the phenomenon, namely surface emissivity and soil thermal conductivity, and shows that it is unnecessary to invoke the presence of such particulate constituents as haze to produce a lifted minimum.

Theory of the non-Fermi-liquid transition point in the two-impurity Kondo model

We present an explicit solution of the problem of two coupled spin-1/2 impurities, interacting with a band of conduction electrons. We obtain an exact effective bosonized Hamiltonian, which is then treated by two different methods (low-energy theory and mean-field approach). Scale invariance is explicitly shown at the quantum critical point. The staggered susceptibility behaves like ln(T(K)/T) at low T, whereas the magnetic susceptibility and [S1.S2] are well behaved at the transition. The divergence of C(T)/T when approaching the transition point is also studied. The non-Fermi-liquid (actually marginal-Fermi-liquid) critical point is shown to arise because of the existence of anomalous correlations, which lead to degeneracies between bosonic and fermionic states of the system. The methods developed in this paper are of interest for studying more physically relevant models, for instance, for high-T(c) cuprates.

A Microscopic Theory of the f.c.c.-b.c.c. Interface .

We present a first-principles theory of the equilibrium b.c.c.-f.c.c. interface at coexistence using the density functional method. We assume that the interfacial region has local body-centred tetragonal (b.c.t.) symmetry and predict typical interfacial widths to be of order 2 to 3 lattice spacings with typical energies close to 0.05 J/m2. These quantities are in good agreement with laboratory measurements on coherent interfaces.

A probabilistic approach to the problem of electron localization in disordered systems and sharpness of the mobility edge

By applying the theory of the asymptotic distribution of extremes and a certain stability criterion to the question of the domain of convergence in the probability sense, of the renormalized perturbation expansion (RPE) for the site self-energy in a cellularly disordered system, an expression has been obtained in closed form for the probability of nonconvergence of the RPE on the real-energy axis. Hence, the intrinsic mobility mu (E) as a function of the carrier energy E is deduced to be given by mu (E)= mu 0exp(-exp( mod E mod -Ec) Delta ), where Ec is a nominal 'mobility edge' and Delta is the width of the random site-energy distribution. Thus mobility falls off sharply but continuously for mod E mod >Ec, in contradistinction with the notion of an abrupt 'mobility edge' proposed by Cohen et al. and Mott. Also, the calculated electrical conductivity shows a temperature dependence in qualitative agreement with experiments on disordered semiconductors.

Orbit perturbation theory of beam-plasma instability

The nonlinear theory of the instability caused by an electron beam-plasma interaction is studied. A nonlinear analysis has been carried out using many-body methods. A general formula for a neutral collisionless plasma, without external fields, is derived. This could be used for calculating the saturation levels of other instabilities. The effect of orbit perturbation theory on the beam-plasma instability is briefly reviewed.

Microscopic theory of solvation of an ion in a binary dipolar liquid

A microscopic theory of the statics and the dynamics of solvation of an ion in a binary dipolar liquid is presented. The theory properly includes the different intermolecular correlations that are present in a binary mixture. As a result, the theory can explain several important aspects of both the statics and the dynamics of solvation that are observed in experiments. It provides a microscopic explanation of the preferential solvation of the more polar species by the solute ion. The dynamics of solvation is predicted to be highly non-exponential, in general. The average relaxation time is found to change nonlinearly with the composition of the mixture. These predictions are in qualitative agreement with the experimental results.