Related papers: Correlation Effects on Antiferromagnetism in Fe Pn…
We study Coulomb correlation effects and their role in superconductivity of $\varepsilon$-iron under pressure from 12 to 33 GPa by using a combination of density functional and dynamical mean-field theory. Our results indicate a persistence…
We study the effect of Coulomb interactions in transition metal oxides junctions. In this paper we analyze charge transfer at the interface of a three layer ferromagnetic-paramagnetic-ferromagnetic metallic oxide system. We choose a charge…
We investigate via LDA+DMFT (local density approximation combined with dynamical mean field theory) the manifestation of correlation effects in a wide range of binding energies in the hole-doped family of Fe-pnictides $A$Fe$_2$As$_2$…
In this paper the two dimensional extended Hubbard model with intersite magnetic Ising-like interaction in the atomic limit is analyzed by means of the classical Monte Carlo method in the grand canonical ensemble. Such an effective simple…
Recent applications of Quantum Monte Carlo (QMC) technique to Fe-based superconductors opened a way to directly verify the applicability of the itinerant scenario for these systems. Fe-based superconductors undergo various instabilities…
Using the constrained-path Monte Carlo method, a two-orbital model for the pnictide superconductors is studied at half filling and in both the electron- and hole-doped cases. At half filling, a stable $(\pi,0)$/$(0,\pi)$ magnetic order is…
Motivated by the recent angle-resolved photoemission spectroscopy (ARPES) on FeSe and iron pnictide families of iron-based superconductors, we have studied the orbital nematic order and its interplay with antiferromagnetism within the…
We investigate noncollinear effects in antiferromagnetically coupled clusters using the general, rotationally invariant form of local spin-density theory. The coupling to the electronic degrees of freedom is treated with relativistic…
The effect of disorder on transport and magnetization in ferromagnetic III-V semiconductors, in particular (Ga,Mn)As, is studied theoretically. We show that Coulomb-induced correlations of the defect positions are crucial for the transport…
In their Letter (Phys. Rev. Lett. 83, 5118 (1999)), den Brink, Khaliullin, and Khomskii proposed theoretically that the one-dimensional ferromagnetic zigzag chains in CE phase in half-doped manganites play an essential role in forming the…
We study the effect of electronic Coulomb correlations on the vacancy formation energy in paramagnetic alpha-Fe within ab initio dynamical mean-field theory. The calculated value for the formation energy is substantially lower than in…
This work is devoted to the analysis of orbital patterns and related to them interatomic magnetic interactions in centrosymmetric monoclinic structures of BiMnO$_3$, which have been recently determined experimentally. First, we set up an…
We have studied the effect of anisotropies on the quantum phase transition of the Kondo necklace model in dimensions D=1, 2 and 3. Both the anisotropy $\delta$ of the inter-site interaction term and anisotropy $\Delta$ of the on-site Kondo…
We present an ab initio based method which gives clear insight into the interplay between the hybridization, the coulomb exchange, and the crystal-field interactions, as the degree of 4f localization is varied across a series of strongly…
Using noncollinear first-principles calculations we perform a systematic study of the magnetic order in several families of ferropnictides. We find a fairly universal energy dependence on the magnetization order in all cases. Our results…
We study the influence of short range antiferromagnetic correlations between local $f$-electrons on the transport and thermodynamic properties of Kondo insulators, as first proposed by Coqblin et al. for metallic heavy fermions. The…
We report large scale determinant Quantum Monte Carlo calculations of the effective bandwidth, momentum distribution, and magnetic correlations of the square lattice fermion Hubbard Hamiltonian at half-filling. The sharp Fermi surface of…
Using x-ray absorption and resonant inelastic x-ray scattering, charge dynamics at and near the Fe $L$ edges is investigated in Fe pnictide materials, and contrasted to that measured in other Fe compounds. It is shown that the XAS and RIXS…
We analyze how noise correlations probed by time-of-flight (TOF) experiments reveal antiferromagnetic (AF) correlations of fermionic atoms in two-dimensional (2D) and three-dimensional (3D) optical lattices. Combining analytical and quantum…
Charge ordering is one of the most intriguing and extensively studied phenomena in correlated electronic materials because of its strong impact on electron transport properties including superconductivity. Despite its ubiquitousness in…