Theory of Core-Level Photoemission and the X-ray Edge Singularity Across the Mott Transition

The zero temperature core-level photoemission spectrum is studied across the metal to Mott insulator transition using dynamical mean-field theory and Wilson's numerical renormalization group. An asymmetric power-law divergence is obtained in the metallic phase with an exponent alpha(U,Q)-1 which depends on the strength of both the Hubbard interaction U and the core-hole potential Q. For Q <~ U_c/2 alpha decreases with increasing U and vanishes at the transition (U -> U_c) leading to a symmetric peak in the insulating phase. For Q >~ U_c/2, alpha remains finite close to the transition, but the integrated intensity of the power-law vanishes and there is no associated peak in the insulator. The weight and position of the remaining peaks in the spectra can be understood within a molecular orbital approach.Comment: 5 pages, 6 figure

Development of a general time-dependent absorbing potential for the constrained adiabatic trajectory method

The Constrained Adiabatic Trajectory Method (CATM) allows us to compute solutions of the time-dependent Schr\"odinger equation using the Floquet formalism and Fourier decomposition, using matrix manipulation within a non-orthogonal basis set, provided that suitable constraints can be applied to the initial conditions for the Floquet eigenstate. A general form is derived for the inherent absorbing potential, which can reproduce any dispersed boundary conditions. This new artificial potential acting over an additional time interval transforms any wavefunction into a desired state, with an error involving exponentially decreasing factors. Thus a CATM propagation can be separated into several steps to limit the size of the required Fourier basis. This approach is illustrated by some calculations for the $H_2^+$ molecular ion illuminated by a laser pulse.Comment: 8 pages, 7 figure

Origin of the high Neel temperature in SrTcO3

We investigate the origin of the high Neel temperature recently found in Tc perovskites. The electronic structure in the magnetic state of SrTcO3 and its 3d analogue SrMnO3 is calculated within a framework combining band-structure and many-body methods. In agreement with experiment, the Neel temperature of SrTcO3 is found to be four times larger than that of SrMnO3. We show that this is because the Tc-compound lies on the verge of the itinerant-to-localized transition, and also has a larger bandwidth, while the Mn-compound lies deeper into the localized side. For SrTcO3 we predict that the Neel temperature depends weakly on applied pressure, in clear violation of Bloch's rule, signaling the complete breakdown of the localized picture.Comment: 4+ pages, 3 figures, published versio

Universality and Critical Behavior at the Mott transition

We report conductivity measurements of Cr-doped V2O3 using a variable pressure technique. The critical behavior of the conductivity near the Mott-insulator to metal critical endpoint is investigated in detail as a function of pressure and temperature. The critical exponents are determined, as well as the scaling function associated with the equation of state. The universal properties of a liquid-gas transition are found. This is potentially a generic description of the Mott critical endpoint in correlated electron materials.Comment: 3 figure

Global integration of the Schr\"odinger equation within the wave operator formalism: The role of the effective Hamiltonian in multidimensional active spaces

A global solution of the Schr\"odinger equation, obtained recently within the wave operator formalism for explicitly time-dependent Hamiltonians [J. Phys. A: Math. Theor. 48, 225205 (2015)], is generalized to take into account the case of multidimensional active spaces. An iterative algorithm is derived to obtain the Fourier series of the evolution operator issuing from a given multidimensional active subspace and then the effective Hamiltonian corresponding to the model space is computed and analysed as a measure of the cyclic character of the dynamics. Studies of the laser controlled dynamics of diatomic models clearly show that a multidimensional active space is required if the wavefunction escapes too far from the initial subspace. A suitable choice of the multidimensional active space, including the initial and target states, increases the cyclic character and avoids divergences occuring when one-dimensional active spaces are used. The method is also proven to be efficient in describing dissipative processes such as photodissociation.Comment: 33 pages, 11 figure

Heavy-fermion and spin-liquid behavior in a Kondo lattice with magnetic frustration

We study the competition between the Kondo effect and frustrating exchange interactions in a Kondo-lattice model within a large-${\cal N}$ dynamical mean-field theory. We find a T=0 phase transition between a heavy Fermi-liquid and a spin-liquid for a critical value of the exchange $J_c = T_{K}^0$, the single-impurity Kondo temperature. Close to the critical point, the Fermi liquid coherence scale $T^\star$ is strongly reduced and the effective mass strongly enhanced. The regime $T>T^\star$ is characterized by spin-liquid magnetic correlations and non-Fermi-liquid properties. It is suggested that magnetic frustration is a general mechanism which is essential to explain the large effective mass of some metallic compounds such as LiV$_2$O$_4$.Comment: 7 pages, 1 figure. Late

An experimental study of wine consumers’ willingness to pay for environmental characteristics

The reduction of pesticides use is becoming a priority for the public authorities in many countries. We conducted an experiment with wine consumers to see whether end-consumers value the dissemination of information about environmentally-friendly production practices. The experiment was devised to (i) evaluate whether there is a premium for environmentally-friendly wines, (ii) determine whether or not consumers are sensitive to label owners who implement and guarantee the environmental actions, (iii) and assess the impact of public messages about the consequences of pesticide use. Some 139 participants were divided randomly into two groups. One group had no specific information about the current state of pesticide use in farming. The other group was given information about pesticide use in farming before making their valuations. Becker-DeGroot-Marshak mechanisms revealed that (i) the environmental signal is valued differently depending on who conveyed the information, and that (ii)dissemination of information about the environmental repercussions of farming methods does not significantly affect willingness-to-pay.Willingness to pay, Wine, Effect of information, Experimental economics, Environment, Demand and Price Analysis, Food Consumption/Nutrition/Food Safety,

Constrained Adiabatic Trajectory Method (CATM): a global integrator for explicitly time-dependent Hamiltonians

The Constrained Adiabatic Trajectory Method (CATM) is reexamined as an integrator for the Schr\"odinger equation. An initial discussion places the CATM in the context of the different integrators used in the literature for time-independent or explicitly time-dependent Hamiltonians. The emphasis is put on adiabatic processes and within this adiabatic framework the interdependence between the CATM, the wave operator, the Floquet and the (t,t') theories is presented in detail. Two points are then more particularly analysed and illustrated by a numerical calculation describing the $H_2^+$ ion submitted to a laser pulse. The first point is the ability of the CATM to dilate the Hamiltonian spectrum and thus to make the perturbative treatment of the equations defining the wave function possible, possibly by using a Krylov subspace approach as a complement. The second point is the ability of the CATM to handle extremely complex time-dependencies, such as those which appear when interaction representations are used to integrate the system.Comment: 15 pages, 14 figure