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Register a new userTime-dependent local Greens operator and its applications to manganites
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H. Aliaga
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An algorithm is presented to calculate the electronic local time-dependent Greens 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.
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Nonequilibrium Greens functions represent underutilized means of studying the time evolution of quantum many-body systems. In view of a rising computer power, an effort is underway to apply the Greens functions formalism to the dynamics of central nuclear reactions. As the first step, mean-field evolution for the density matrix for colliding slabs is studied in one dimension. The strategy to extend the dynamics to correlations is described.
A method is developed that allows analysis of quantum Monte Carlo simulations to identify errors in trial wave functions. The purpose of this method is to allow for the systematic improvement of variational wave functions by identifying degrees of freedom that are not well-described by an initial trial state. We provide proof of concept implementations of this method by identifying the need for a Jastrow correlation factor, and implementing a selected multi-determinant wave function algorithm for small dimers that systematically decreases the variational energy. Selection of the two-particle excitations is done using quantum Monte Carlo within the presence of a Jastrow correlation factor, and without the need to explicitly construct the determinants. We also show how this technique can be used to design compact wave functions for transition metal systems. This method may provide a route to analyze and systematically improve descriptions of complex quantum systems in a scalable way.
We report on the optical properties of the hole-doped manganites La_0.7Ca_0.3MnO_3 and La_0.7Ca_0.3MnO_3. Transmission and reflection of thin films are measured in the infrared at temperatures from 10 - 150 K using Fourier-transform spectroscopy. The scattering rate and optical mass are obtained by fitting the far-infrared transmission to a Drude model. The scattering rate shows a T^2 dependence with temperature. The optical mass enhancement differs only slightly from specific heat results. In addition, we compare the infrared spectral weight to band structure calculations [M. Quijada et al., Phys. Rev. B 58, 16093 (1998)].
The recently introduced auxiliary Hamiltonian approach [Balzer K and Eckstein M 2014 Phys. Rev. B 89 035148] maps the problem of solving the two-time Kadanoff-Baym equations onto a noninteracting auxiliary system with additional bath degrees of freedom. While the original paper restricts the discussion to spatially local self-energies, we show that there exists a rather straightforward generalization to treat also non-local correlation effects. The only drawback is the loss of time causality due to a combined singular value and eigen decomposition of the two-time self-energy, the application of which inhibits one to establish the self-consistency directly on the time step. For derivation and illustration of the method, we consider the Hubbard model in one dimension and study the decay of the Neel state in the weak-coupling regime, using the local and non-local second-order Born approximation.
Spin-dependent electric dipole operators are investigated group-theoretically for the emergence of an electric dipole induced by a single spin or by two spins, where the spin dependences are completely classified up to the quadratic order. For a single spin, a product of spin operators behaves as an even-parity electric quadrupole operator, which differs from an odd-parity electric dipole. The lack of the inversion symmetry allows the even- and odd-parity mixing, which leads to the electric dipole described by the electric quadruple operators. Point-group tables are given for classification of the possible spin-dependent electric dipoles and for the qualitative analysis of multiferroic properties, such as an emergent electric dipole moment coexisting with a magnetic moment, electromagnon excitation, and directional dichroism. The results can be applied to a magnetic ion in crystals or embedded in molecules at a site without the inversion symmetry. In the presence of an inversion symmetry, the electric dipole does not appear for a single spin. This is not the case for the electric dipole induced by two spins with antisymmetric spin dependence, which is known as vector spin chirality, in the presence of the inversion center between the two spins. In the absence of the inversion center, symmetric spin-dependent electric dipoles are also relevant. The detailed analysis of various symmetries of two-spin states is applied to spin dimer systems and the related multiferroic properties.
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