Related papers: Multipolar ordering from dynamical mean field theo…
The current theoretical and experimental situations are reviewed for low-dimensional insulating systems with a low magnetic transition temperature TM and pronounced short-range magnetic order above this temperature. Both the standard and…
We studied the electronic structure of SmB6 employing density functional theory (DFT) using different exchange potentials, spin-orbit coupling (SOC) and electron correlation (U = correlation strength). All the calculations carried out in…
The large number of low-lying states of d- and f-shells supports a variety of order parameters. The effective dimensionality of the local Hilbert space depends on the strength, and kind, of intersite interactions. This gives rise to…
We propose a dynamical mean field approach for calculating the electronic structure of strongly correlated materials from first principles. The scheme combines the GW method with dynamical mean field theory, which enables one to treat…
The calculation of electronic properties of materials is an important task of solid state theory, albeit particularly difficult if electronic correlations are strong, for example in transition metals, their oxides and in f-electron systems.…
We present improvements of a recently introduced numerical method [Arrigoni etal, Phys. Rev. Lett. 110, 086403 (2013)] to compute steady state properties of strongly correlated electronic systems out of equilibrium. The method can be…
Conflicting interpretations of experimental data preclude the understanding of the quantum magnetic state of spin-orbit coupled $d^2$ double perovskites. Whether the ground state is a Janh-Teller-distorted order of quadrupoles or the…
By means of first-principles simulations, we unambiguously show that improper ferroelectricity in magnetite in the low-temperature insulating phase is driven by charge-ordering. An accurate comparison between monoclinic ferroelectric Cc and…
We have employed resonant x-ray magnetic scattering to specifically probe the magnetic order of the rare-earth ions in multiferroic $\mathrm{TbMn_2O_5}$. Two energy resonances were observed, one originated from the E1-E1 dipolar transition…
A nonperturbative quantum impurity solver is proposed based on a formally exact hierarchical equations of motion (HEOM) formalism for open quantum systems. It leads to quantitatively accurate evaluation of physical properties of strongly…
Cu3Nb2O8 is an unusual multiferroic compound that undergoes a series of magnetic ordering at low temperatures. Concurrent development of electric polarization has been reported at TN1 ~25 K corresponding to a non-collinear helicoidal…
We propose a hybrid approach which employs the dynamical mean-field theory (DMFT) self-energy for the correlated, typically rather localized orbitals and a conventional density functional theory (DFT) exchange-correlation potential for the…
We investigate the possibility of ferromagnetic ordering in the non-degenerate Hubbard model on the face-centered cubic lattice within the functional renormalization group technique using temperature as a scale parameter. We assume the…
The theory for the onset of spin density wave order in a metal in two dimensions flows to strong coupling, with strong interactions not only at the `hot spots', but on the entire Fermi surface. We advocate the computation of DC transport in…
Full $d$-manifold DMFT with numerically exact solvers has remained computationally prohibitive for spin-orbit materials due their scaling and severe sign problem, forcing the community to rely on simplified one- and three-band models that…
We have calculated thermodynamic and spectral properties of Ce metal over a wide range of volume and temperature, including the effects of 4f electron correlations, by the merger of the local density approximation and dynamical mean field…
The problem of magnetic transitions between the low-temperature (macrospin ordered) phases in 2D XY arrays is addressed. The system is modeled as a plane structure of identical single-domain particles arranged in a square lattice and…
Double perovskite compounds containing 5d transition metal elements have been extensively studied as platforms for multipolar order phenomena stemming from spin-orbit-entangled 5d electrons. In this study, we examine the interplay between…
The DFN (Doyle-Fuller-Newman) model is well know for being accurate and computationally expensive. In situations where temperature gradients are important (eg fast charging) it is desirable to couple the temperature dynamics within a…
The debate whether uranium 5f electrons are closer to being localized or itinerant in the ferromagnetic compound UGa2 is not yet fully settled. The experimentally determined magnetic moments are large, approximately 3 Bohr magnetons,…