D. J. García

State-of-the-art techniques for calculating spectral functions in models for correlated materials

The dynamical mean field theory (DMFT) has become a standard technique for the study of strongly correlated models and materials overcoming some of the limitations of density functional approaches based on local approximations. An important step in this method involves the calculation of response functions of a multiorbital impurity problem which is related to the original model. Recently there has been considerable progress in the development of techniques based on the density matrix renormalization group (DMRG) and related matrix product states (MPS) implying a substantial improvement to previous methods. In this article we review some of the standard algorithms and compare them to the newly developed techniques, showing examples for the particular case of the half-filled two-band Hubbard model.

Lattice specific heat for the RMIn5 (R=Gd, La, Y; M=Co, Rh) compounds: Non-magnetic contribution subtraction

Abstract We analyze theoretically a common experimental process used to obtain the magnetic contribution to the specific heat of a given magnetic material. In the procedure, the specific heat of a non-magnetic analog is measured and used to subtract the non-magnetic contributions, which are generally dominated by the lattice degrees of freedom in a wide range of temperatures. We calculate the lattice contribution to the specific heat for the magnetic compounds GdMIn 5 (M=Co, Rh) and for the non-magnetic YMIn 5 and LaMIn 5 (M=Co, Rh), using density functional theory based methods. We find that the best non-magnetic analog for the subtraction depends on the magnetic material and on the range of temperatures. While the phonon specific heat contribution of YRhIn 5 is an excellent approximation to the one of GdCoIn 5 in the full temperature range, for GdRhIn 5 we find a better agreement with LaCoIn 5 , in both cases, as a result of an optimum compensation effect between masses and volumes. We present measurements of the specific heat of the compounds GdMIn 5 (M=Co, Rh) up to room temperature where it surpasses the value expected from the Dulong–Petit law. We obtain a good agreement between theory and experiment when we include anharmonic effects in the calculations.

SU(4) Kondo entanglement in double quantum dot devices

We analyze, from a quantum information theory perspective, the possibility of realizing a SU(4) entangled Kondo regime in semiconductor double quantum dot devices. We focus our analysis on the ground state properties and consider the general experimental situation where the coupling parameters of the two quantum dots differ. We model each quantum dot with an Anderson type Hamiltonian including an interdot Coulomb repulsion and tunnel couplings for each quantum dot to independent fermionic baths. We find that the spin and pseudospin entanglements can be made equal, and the SU(4) symmetry recovered, if the gate voltages are chosen in such a way that the average charge occupancies of the two quantum dots are equal, and the double occupancy on the double quantum dot is suppressed. We present density matrix renormalization group numerical results for the spin and pseudospin entanglement entropies, and analytical results for a simplified model that captures the main physics of the problem.

Ferromagnetic and underscreened Kondo behavior in quantum dot arrays

We analyze the low energy properties of a device with

Why the Co-based 115 compounds are different: The case study ofGdMIn5(M=Co,Rh,Ir)

N+1

Low-temperature magnetic properties of GdCoIn5

quantum dots in a star configuration. A central quantum dot is tunnel coupled to source and drain electrodes and to

Magnetostriction Reveals Orthorhombic Distortion in Tetrahedral Gd-compounds

N

Landau theory for magnetic and structural transitions in CeCo0.85Fe0.15Si

quantum dots. Extending previous results for the

Hund's rule coupling role in the Mott transition

N=2

Low-temperature physical properties of GdCoIn

case we show that, in the appropriate parameter regime, the low energy Hamiltonian of the system is a ferromagnetic Kondo model for a