Related papers: Electronic structure of CeRu4Sn6: a density functi…
We investigate single Fe and Co atoms buried below a Cu(100) surface using low temperature scanning tunneling spectroscopy. By mapping the local density of states of the itinerant electrons at the surface, the Kondo resonance near the Fermi…
We have measured the electrical resistivity of cerium monochalcogenices, CeS, CeSe, and CeTe, under high pressures up to 8 GPa. Pressure dependences of the antiferromagnetic ordering temperature $T_{N}$, crystal field splitting, and the…
Metamagnetism in antiferromagnets exhibits distinct critical behaviors and dynamics when invoking spin reversal and rotation. Here we show a 0.05% anisotropic strain suffices to in-situ modulate the metamagnetic critical field of the Mott…
We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…
Electron scattering off an Anderson impurity immersed in the bulk of a 3D topological insulator is studied in the strong coupling regime, where the temperature $T$ is lower than the Kondo temperature $T_K$. The system displays either a…
The conduction electron density of states nearby a single magnetic impurity, as measured recently by scanning tunneling microscopy (STM), is calculated. It is shown that the Kondo effect induces a narrow Fano resonance as an intrinsic…
The electric-current stabilized semi-metallic state in the quasi-two-dimensional Mott insulator Ca$_2$RuO$_4$ exhibits an exceptionally strong diamagnetism. Through a comprehensive study using neutron and X-ray diffraction, we show that…
Transport properties in the Kondo regime of a nanosystem displaying uniaxial magnetic anisotropy (such as a magnetic molecule, magnetic adatom or quantum dot coupled to a localized magnetic moment) are analyzed theoretically. In particular,…
Based on ab initio density-functional-theory using generalized gradient approximation, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently [Ma \textit{et al.}, Nature…
Density functional theory calculations for the electronic structures of the 4H-SiC(0001)/SiO$_2$ interface with atomic-scale steps are carried out to investigate the effect of NO annealing. The characteristic behavior of the conduction band…
The ground-state phase diagram of a half-filled anisotropic Kondo lattice model is calculated within a mean-field theory. For small transverse exchange coupling $J_{\perp}<J_{\perp c1}$, the ground state shows an antiferromagnetic…
We study the effect of crystal field anisotropy in the underscreened $S=1$ Kondo lattice model. Starting from the two orbital Anderson lattice model and including a local anisotropy term, we show, through Schrieffer-Wolff transformation,…
We have carried out a comparative theoretical study of the electronic structure of the novel one-dimensional Ca$_3$CoRhO$_6$ and Ca$_3$FeRhO$_6$ systems. The insulating antiferromagnetic state for the Ca$_3$FeRhO$_6$ can be well explained…
The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…
Applying the correlated electronic structure method based on density functional theory plus the Hubbard $U$ interaction, we have investigated the tetragonal scheelite structure Mott insulator KOsO$_4$, whose $e_g^1$ configuration should be…
Motivated by the high sensitivity to Fermi surface topology and scattering mechanisms in magneto-thermoelectric transport, we have measured the thermopower and Nernst effect on the (011)-plane of the proposed topological Kondo insulator…
Ferromagnetic insulators (FM-Is) are the materials of interest for new generation quantum electronic applications. Here, we have investigated the physical observables depicting FM-I ground states in epitaxial Sm$ _{2} $NiMnO$ _{6} $ (SNMO)…
We theoretically study the Kondo screening of a spin-1/2 magnetic impurity in the bulk of a type-II Weyl semimetal (WSM) by use of the variational wave function method. We consider a type-II WSM model with two Weyl nodes located on the…
The topology and spin-orbital polarization of two-dimensional (2D) surface electronic states have been extensively studied in this decade. One major interest in them is their close relationship with the parities of the bulk (3D) electronic…
First principles density functional theory (DFT) is used to investigate the electronic structure of \beta-MnO2. From collinear spin polarized calculations we find that DFT+U_Eff predicts a gapless ferromagnet in contrast with experiment…