Related papers: Magnetic tight-binding and the iron-chromium entha…
We investigate the possibility and stability of bandferromagnetism in the single-band Hubbard model. This model poses a highly non-trivial many-body problem the general solution of which has not been found up to now. Approximations are…
The origins of the anomalous temperature dependence of magnetocrystalline anisotropy in (Fe$_{1-x}$Co$_{x}$)$_{2}$B alloys are elucidated using first-principles calculations within the disordered local moment model. Excellent agreement with…
The issue of magnetic confinement in magnetic fusion devices is addressed within a purely magnetic approach. Using some Hamiltonian models for the magnetic field lines, the dual impact of low magnetic shear is shown in a unified way. Away…
In $d$-electron systems, there can also be intricate interplay between Kondo coupling and magnetic interactions as that in $f$-electron systems, but the underlying mechanism remains elusive. Here, using inelastic neutron scattering, we…
Topological insulators (TIs) are a class of materials which are insulating in their bulk form yet, upon introduction of an a boundary or edge, e.g. by abruptly terminating the material, may exhibit spontaneous current along their boundary.…
We study electron transport in a normal-metal ring modeled by the tight binding lattice Hamiltonian, coupled to two electron reservoirs. First, Buttiker's model of incorporating inelastic scattering, hence decoherence and dissipation, has…
Previous studies indicated that intrinsic point defects play a crucial role for the density of states of ferromagnetic half-metals in the band gap region: At large concentrations, defect-derived bands might close the gap at the Fermi energy…
The Hubbard model, which augments independent-electron band theory with a single parameter to describe electron-electron correlations, is widely regarded to be the `standard model' of condensed matter physics. The model has been remarkably…
We analyze and present applications of a recently proposed empirical tight-binding scheme for investigating the effects of alloy disorder on various electronic and optical properties of semiconductor alloys, such as the band gap variation,…
We obtain parameters for non-orthogonal and orthogonal TB models from two-atomic molecules for all combinations of elements of period 1 to 6 and group 3 to 18 of the periodic table. The TB bond parameters for 1711 homoatomic and…
A model of magnetic interactions in the ordered ferromagnetic FePt is proposed on the basis of first-principles calculations of non-collinear magnetic configurations and shown to be capable of explaining recent measurements of magnetic…
Understanding the interplay of band topology, strong electron correlation, and magnetic order is the fundamental core bottleneck for realizing robust high-temperature quantum anomalous Hall effect (QAHE). Conventional two-band Anderson…
Using density functional theory, we carried out systematic calculations for a series of ultrathin iron layers with thicknesses ranging from one atomic monolayer to eleven monolayers (up to about 1.5 nm). We considered three cases: (1) iron…
Ternary iron phosphide EuFe$_2$P$_2$ with ThCr$_2$Si$_2$-type structure has been systematically studied by the measurements of crystal structure, magnetization, M\"{o}ssbauer effect, transport properties and specific heat. The structural…
We present a tight-binding (TB) model and $\mathbf{k\cdot p}$ theory for electrons in monolayer and few-layer InSe. The model is constructed from a basis of all $s$ and $p$ valence orbitals on both indium and selenium atoms, with…
Highly energetic magnetic fluctuations, discovered in high-temperature superconductors (HTSC) by inelastic neutron scattering (INS), are now widely believed to be vital for the superconductivity. In two competing scenarios, they either…
We study charge transport across the metal-insulator crossover in the half-filled two-dimensional Hubbard model, with particular emphasis on precision control. The dynamic current-current correlation function is obtained directly in the…
We describe an empirical, self-consistent, orthogonal tight-binding model for zirconia, which allows for the polarizability of the anions at dipole and quadrupole levels and for crystal field splitting of the cation d orbitals. This is…
A twist between two systems offers the possibility to drastically change the underlying physical properties. To that end, we study the bandstructure of twisted moir\'e potentials in detail. At sets of commensurate twisting angles, the low…
Temperature and magnetic field dependent magnetization and extraction of entanglement from the experimental data is reported for dichloro(thiazole)copper(II), a Heisenberg spin chain system. The magnetic susceptibility vs. temperature plot…