Superlight pairs in face-centred-cubic extended Hubbard models with strong Coulomb repulsion

The majority of fulleride superconductors with unusually high transition-temperature to kinetic-energy ratios have a face-centred-cubic (FCC) structure. We demonstrate that, within extended Hubbard models with strong Coulomb repulsion, paired fermions in FCC lattices have qualitatively different properties than pairs in other three-dimensional cubic lattices. Our results show that strongly bound, light, and small pairs can be generated in FCC lattices across a wide range of the parameter space. We estimate that such pairs can Bose condense at high temperatures even if thelattice constant is large (as in the fullerides).

Спиральное магнитное упорядочение и переход металл--диэлектрик в модели Хаббарда на треугольной решeтке

The magnetic phase diagrams of the two-dimensional Hubbard model for isotropic and anisotropic triangular lattices are constructed within the Hartree-Fock and slave boson approximations. The triangular lattice specific non-collinear and spiral magnetic states, as well as phase separation between them, are shown to be realized in a wide range of model parameters along with collinear magnetic states (stripe antiferromagnetic and ferromagnetic). Phase transitions of the first and second order are found, and the boundaries of the phase separation regions are determined. A comparison of the two approximations, Hartree-Fock and slave boson, shows that electronic correlations suppress magnetic states, the region of paramagnetism being expand, for values U/t>5. At the same time, when the Fermi level is near the van Hove singularity, electron correlations do not change the diagrams qualitatively, which is consistent with the previously obtained result for square and cubic lattices. The results are compared with the data available in the literature for other methods and approaches.

A new theoretical approach to the strain dependence of magnetic crystal-field anisotropy

We report on the derivation of analytical equations for ab-initio calculations of the strain dependence of crystal-electric-field (CEF) parameters for arbitrary deformations. The calculation is based on the fundamental assumption that the charge distribution deforms in the same way as the crystal. Based on this deformed-charge model, simple formulas for the practical usage are given for various site symmetries of cubic lattices under uniform strain. These formulas can be used to predict the change of the magnetic crystal-field anisotropy under strain, which is important for the design of magnetic materials and devices. As an example for the power of the method, we present a calculation of the magnetic contribution to the thermal expansion in some rare-earth-based materials.

Electron liquid state in the symmetric Anderson lattice

Using mean field approach, we provide analytical and numerical solution of the symmetric Anderson lattice for arbitrary dimension at half filling. The symmetric Anderson lattice is equivalent to the Kondo lattice, which makes it possible to study the behavior of an electron liquid in the Kondo lattice. We have shown that, due to hybridization (through an effective field due to localized electrons) of electrons with different spins and momenta $$\mathbf{k} $$ k and $$\mathbf{k} +\overrightarrow{\pi }$$ k + π → , the gap in the electron spectrum opens at half filling. Such hybridization breaks the conservation of the total magnetic momentum of electrons, the spontaneous symmetry is broken. The state of electron liquid is characterized by a large Fermi surface. A gap in the spectrum is calculated depending on the magnitude of the on-site Coulomb repulsion and value of s–d hybridization for the chain, as well as for square and cubic lattices. Anomalous behavior of the heat capacity at low temperatures in the gapped state, which is realized in the symmetric Anderson lattice, was also found.