Related papers: Breakdown of the Hund's Rule in CuFeAs
We investigate the effect of the Coulomb interaction, $U_{cf}$, between the conduction and f electrons in the periodic Anderson model using the density-matrix renormalization-group algorithm. We calculate the excitation spectrum of the…
Ternary iron nitrides are of considerable interest due to their diverse magnetic properties. We find, based on first principles calculations, that the relatively minor structural distortion from the cubic antiperovskite structure in…
We study the emergence of quasiparticles in Hund's metals with an SU($M$)$\times$SU($N$)-symmetric Kondo impurity model carrying both spin and orbital degrees of freedom. We show that the coupling of the impurity spin to the conduction…
We have made a series of gradient-corrected relativistic full-potential density-functional calculation for Ca-substituted and hole-doped SrRuO$_3$ in para, ferro, and $A$-, $C$-, and $G$-type antiferromagnetic states. Magnetic phase-diagram…
We study and solve the ground-state problem of a microscopic model for a family of orbitally degenerate quantum magnets. The orbital degrees of freedom are assumed to have directional character and are represented by static Potts-like…
The magnetic and nematic properties of the iron chalcogenides have recently been the subject of intense interest. Motivated by the proposed antiferroquadrupolar and Ising-nematic orders for the bulk FeSe, we study the phase diagram of an…
An ensemble of 2d disordered clusters with a few electrons is studied as a function of the Coulomb energy to kinetic energy ratio r_s. Between the Fermi system (small r_s) and the Wigner molecule (large r_s), an interaction induced…
The magnetic and non-magnetic ground states of the periodic Anderson model with Coulomb interaction between $f$-electrons on the nearest-neighbour(NN) sites are investigated using a variational method, which gives exact calculation of the…
The ground state of bilayer graphene is investigated by the density functional calculations with local spin density approximation. We find a ground state with layer antiferromagnetic ordering, which has been suggested by former studies…
Electronic and magnetic properties of a system of two charged vacancies in hexagonal shaped graphene quantum dots are investigated using a mean-field Hubbard model as a function of the Coulomb potential strength $\beta$ of the charge…
We characterize the coexistence of itinerant ferromagnetism and spin-triplet superconductivity within a single mechanism involving local (Hund's rule) exchange among $d$ electrons. The ratio of transition temperatures and the spin…
The breakdown of the Kondo effect may be the origin of the anomalous properties of the heavy-fermion compounds at low temperatures. We study the dynamics of one impurity embedded in an antiferromagnetic host at the quantum critical point…
To understand the magnetic property of layered van der Waals materials CrOX (X = Cl, Br), we performed the detailed first-principles calculations for both bulk and monolayer. We found that the charge-only density functional theory combined…
Common density-matrix functionals, the M\"uller and the power functional, have been benchmarked for the half-filled Hubbard dimer, which allows to model the bond dissociation problem and the transition from the weakly to the strongly…
We investigate Cu-doped Ba(Fe$_{1-x}$Cu$_x$)$_2$As$_2$ with transport, magnetic susceptibility, and elastic neutron scattering measurements. In the heavily Cu-doped regime where long-range stripe-type antiferromagnetic order in…
Some of the high Tc iron pnictides contain magnetic rare-earth elements, raising the question of how the existence and tunability of a d-electron antiferromagnetic order influences the heavy fermion behavior of the f-moments. With CeOFeP…
Antiferromagnetic resonance (AFMR) of BaCu2Si2O7 and a microscopic theory of the magnetic anisotropy of spin 1/2 chain compounds with folded CuO3 geometry being in good agreement with the available data are presented. The AFMR studies at…
We have analyzed the magnetic interactions of a five orbital model for iron superconductors treated both within Hartree-Fock and Heisenberg approximations. We have found that the exchange constants depend non-trivially on the Fe-As-Fe angle…
We study the magnetic properties in the vicinity of a single carbon defect in a monolayer of graphene. We include the unbound $\sigma$ orbital and the vacancy induced bound $\pi$ state in an effective two-orbital single impurity model. The…
We examine the influence of the excess of interstitial Fe on the magnetic properties of Fe$_{1+y}$Te compounds. Because in iron chalcogenides the correlations are stronger than in the iron arsenides, we assume in our model that some of the…