Time-dependent local Green's operator and its applications to manganites

An algorithm is presented to calculate the electronic local time-dependent Green's operator for manganites-related hamiltonians. This algorithm is proved to scale with the number of states $N$ in the Hilbert-space to the 1.55 power, is able of parallel implementation, and outperforms computationally the Exact Diagonalization (ED) method for clusters larger than 64 sites (using parallelization). This method together with the Monte Carlo (MC) technique is used to derive new results for the manganites phase diagram for the spatial dimension D=3 and half-filling on a 12x12x12 cluster (3456 orbitals). We obtain as a function of an insulating parameter, the sequence of ground states given by: ferromagnetic (FM), antiferromagnetic AF-type A, AF-type CE, dimer and AF-type G, which are in remarkable agreement with experimental results.Comment: 9 pages, 11 figure

Effect of Sr substitution on superconductivity in Hg2(Ba1-ySry)2YCu2O8-d (part2): bond valence sum approach of the hole distribution

The effects of Sr substitution on superconductivity, and more particulary the changes induced in the hole doping mechanism, were investigated in Hg2(Ba1-ySry)2YCu2O8-d by a "bond valence sum" analysis with Sr content from y = 0.0 to y = 1.0. A comparison with CuBa2YCu2O7-d and Cu2Ba2YCu2O8 systems suggests a possible explanation of the Tc enhancement from 0 K for y = 0.0 to 42 K for y = 1.0. The charge distribution among atoms of the unit cell was determined from the refined structure, for y = 0.0 to 1.0. It shows a charge transfer to the superconducting CuO2 plane via two doping channels pi(1) and pi(2), i.e. through O2(apical)-Cu and Ba/Sr-O1 bonds respectively.Comment: 13 pages, 5 figures, accepted for publication in Journal of Physics: Condensed Matte

A method for the location of noise-polluted area

This paper deals with the working out of a method suitable to locate the critical areas from an acoustic point of view inside the pertinence zones of the roads. We have applied our method to about one thousand kilometres of major roads managed by ANAS in Lombardia. The procedure is based on the coupling of a Geographic Information System (GIS) with an acoustics simulation model. In order to characterize the noise sources in the prediction software, it has been necessary to estimate in every significant section of the streets the day and night average fluxes of vehicles, the vehicle typology and their average velocity. This study started from a statistical analysis of the experimental data obtained by sound measurements and by counting the vehicle fluxes. As a result, we have obtained on a GIS the acoustics map of the whole Lombardia road network with information on where the noise limits classes are exceeded

Evolution of magneto-orbital order upon B-site electron doping in Na1-xCaxMn7O12 quadruple perovskite manganites

We present the discovery and refinement by neutron powder diffraction of a new magnetic phase in the Na1-xCaxMn7O12 quadruple perovskite phase diagram, which is the incommensurate analogue of the well-known pseudo-CE phase of the simple perovskite manganites. We demonstrate that incommensurate magnetic order arises in quadruple perovskites due to the exchange interactions between A and B sites. Furthermore, by constructing a simple mean field Heisenberg exchange model that generically describes both simple and quadruple perovskite systems, we show that this new magnetic phase unifies a picture of the interplay between charge, magnetic and orbital ordering across a wide range of compounds.Comment: Accepted for publication in Physical Review Letter

Errors evaluation in the estimate of the noise from the road traffic

Specific algorithms together with noise data acquired during a measurement campaign, consisting of approximately 80 one-hour records, were utilized to model the noise levels of a road network. Experimental measurements were used to evaluate the reliability of the model by analyzing the differences between the measured values and the estimated ones. We think that these differences have to be especially ascribed to an imperfect representation of the combined effects of the attenuation due to acoustic wave diffraction and the attenuation produced by the ground effect

Temperature and field dependence of the phase separation, structure, and magnetic ordering in La1−x_{1-x}Cax_xMnO3_3, (x=0.47x=0.47, 0.50, and 0.53)

Neutron powder diffraction measurements, combined with magnetization and resistivity data, have been carried out in the doped perovskite La$_{1-x}$Ca$_x$MnO$_3$ ($x=0.47$, 0.50, and 0.53) to elucidate the structural, magnetic, and electronic properties of the system around the composition corresponding to an equal number of Mn3+ and Mn4+. At room temperature all three samples are paramagnetic and single phase, with crystallographic symmetry Pnma. The samples then all become ferromagnetic (FM) at $T_C\approx 265$ K. At $\sim 230$ K, however, a second distinct crystallographic phase (denoted A-II) begins to form. Initially the intrinsic widths of the peaks are quite large, but they narrow as the temperature decreases and the phase fraction increases, indicating microscopic coexistence. The fraction of the sample that exhibits the A-II phase increases with decreasing temperature and also increases with increasing Ca doping, but the transition never goes to completion to the lowest temperatures measured (5 K) and the two phases therefore coexist in this temperature-composition regime. Phase A-II orders antiferromagnetically (AFM) below a N\'{e}el temperature $T_N \approx 160$ K, with the CE-type magnetic structure. Resistivity measurements show that this phase is a conductor, while the CE phase is insulating. Application of magnetic fields up to 9 T progressively inhibits the formation of the A-II phase, but this suppression is path dependent, being much stronger for example if the sample is field-cooled compared to zero-field cooling and then applying the field. The H-T phase diagram obtained from the diffraction measurements is in good agreement with the results of magnetization and resistivity.Comment: 12 pages, 3 tables, 11 figure

Low-Temperature Permittivity of Insulating Perovskite Manganites

Measurements of the low-frequency (f<=100 kHz) permittivity and conductivity at T<= 150 K are reported for La(1-x)Ca(x)MnO(3) (0<=x<=1) and Ca(1-y)Sr(y)MnO(3) (0<=y<=0.75) having antiferromagnetic, insulating ground states covering a broad range of Mn valencies from Mn(3+) to Mn(4+). Static dielectric constants are determined from the low-T limiting behavior. With increasing T, relaxation peaks associated with charge-carrier hopping are observed in the real part of the permittivities and analyzed to determine dopant binding energies. The data are consistent with a simple model of hydrogenic impurity levels and imply effective masses m*/m_e~3 for the Mn(4+) compounds. Particularly interesting is a large dielectric constant (~100) associated with the C-type antiferromagnetic state near the composition La(0.2)Ca(0.8)MnO(3).Comment: 6 pages, 8 figures, PRB in pres

Ferromagnetic Polarons in La0.5Ca0.5MnO3 and La0.33Ca0.67MnO3

Unrestricted Hartree-Fock calculations on La0.5Ca0.5MnO3 and La0.33Ca0.67MnO3 in the full magnetic unit cell show that the magnetic ground states of these compounds consist of 'ferromagnetic molecules' or polarons ordered in herring-bone patterns. Each polaron consists of either three or five Mn ions separated by O- ions with a magnetic moment opposed to those of the Mn ions. Ferromagnetic coupling within the polarons is strong while coupling between them is relatively weak. Magnetic moments on the Mn ions range between 3.8 and 3.9 Bohr magnetons in La0.5Ca0.5MnO3 and moments on the O- ions are -0.7 Bohr magnetons. Each polaron has a net magnetic moment of 7.0 Bohr magnetons, in good agreement with recently reported magnetisation measurements from electron microscopy. The polaronic nature of the electronic structure reported here is obviously related to the Zener polaron model recently proposed for Pr0.6Ca0.4MnO3 on the basis of neutron scattering data.Comment: 4 pages 5 figure

Cooling rate dependence of the antiferromagnetic domain structure of a single crystalline charge ordered manganite

The low temperature phase of single crystals of Nd$_{0.5}$Ca$_{0.5}$MnO$_3$ and Gd$_{0.5}$Ca$_{0.5}$MnO$_3$ manganites is investigated by squid magnetometry. Nd$_{0.5}$Ca$_{0.5}$MnO$_3$ undergoes a charge-ordering transition at $T_{CO}$=245K, and a long range CE-type antiferromagnetic state is established at $T_N$=145K. The dc-magnetization shows a cooling rate dependence below $T_N$, associated with a weak spontaneous moment. The associated excess magnetization is related to uncompensated spins in the CE-type antiferromagnetic structure, and to the presence in this state of fully orbital ordered regions separated by orbital domain walls. The observed cooling rate dependence is interpreted to be a consequence of the rearrangement of the orbital domain state induced by the large structural changes occurring upon cooling.Comment: REVTeX4; 7 pages, 4 figures. Revised 2001/12/0