Related papers: Electron correlation effects and ferromagnetism in…
Ferromagnetic Weyl semi-metals exhibit an anomalous Hall effect, a consequence of their topological properties. In the non-interacting case, the derivative of the orbital magnetization with respect to chemical potential is proportional to…
In order to depict the quantization of Landau levels, we introduce Dirac $\delta$ function, and gain a concise expression for the electron Fermi energy, $E_{F}(e) \propto B^{1/4}$. The high soft X-ray luminosities of magnetars may be…
Optical reflectivity measurements were performed on a single crystal of the d-electron heavy-fermion (HF) metal LiV2O4. The results evidence the highly incoherent character of the charge dynamics for all temperatures above T^* \approx 20 K.…
We numerically investigate the effect of electron correlation on the integer quantum Hall effect in a square lattice. Increasing the correlation strength via the effective onsite repulsion parameter $U$ degrades the quantization of $\nu =…
The Gutzwiller technique has long been known as a method to include correlations in electronic structure calculations. Here we implement an ab-initio Gutzwiller+LDA calculation, and apply it to a classic problem, the ferromagnetism of bulk…
We use the constrained random phase approximation (cRPA) method to calculate the Hubbard $U$ parameter in four one-dimensional magnetic transition metal atom oxides of composition XO$_2$ (X = Mn, Fe, Co, Ni) on Ir(100). In addition to the…
The two-band Hubbard model with the density of states obtained from the band calculation is applied for FeSi, which is suggested to be a Kondo insulator or a correlated band insulator. Using this model, the correlation effects on FeSi are…
We report electrical resistivity measurements and neutron diffraction studies under magnetic fields of Bi$_{1.75}$Pb$_{0.35}$Sr$_{1.90}$Cu$_{0.91}$Fe$_{0.09}$O$_{6+y}$, in which hole carriers are overdoped. This compound shows short-range…
Gate-modulated low-temperature Raman spectra reveal that the electric field effect (EFE), pervasive in contemporary electronics, has marked impacts on long wavelength optical phonons of graphene. The EFE in this two dimensional honeycomb…
Fundamental flaws in the Heisenberg Hamiltonian are highlighted in the context of its application to BCC Fe, including the particular issues arising when modelling lattice defects. Exchange integrals are evaluated using the magnetic force…
In this work we discuss the occurrence of ferromagnetism in transition-like metals. The metal is represented by two hybridized($V$) and shifted $(\epsilon_s$) bands one of which includes Hubbard correlation whereas the other is…
The correlated motion of electrons in multi-orbital metallic ferromagnets is investigated in terms of a realistic Hubbard model with {\cal N}-fold orbital degeneracy and arbitrary intra- and inter-orbital Coulomb interactions U and J using…
We discover that hcp phases of Fe and Fe0.9Ni0.1 undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound…
In the present communication the Bayesian conditional probability approach is applied to the wave function of a many-electron system that results in appearance of a quantum vector potential in the DFT Schrodinger equation due to electron…
High-resolution angle-resolved photoelectron spectroscopy is used to examine the electronic band structure of FeTe$_{0.5}$Se$_{0.5}$ near the Brillouin zone center. A consistent separation of the $\alpha_{1}$ and $\alpha_{2}$ bands is…
The effects of a long range electronic potential on a one dimensional chain of spinless fermions are investigated by numerical techniques (Exact Diagonalisation of rings with up to 30 sites complemented by finite size analysis) and analytic…
Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principles calculations. Systematic dependences of the derived model…
We present an ab initio study of electronic correlation effects in a molecular cluster derived from the hexanuclear ferric wheel [LiFe6(OCH3)12-(dbm)6]PF6. The electronic and magnetic properties of this cluster have been studied with…
We present calculations of structural and magnetic properties of the iron-pnictide superconductor LaFeAsO including electron-electron correlations. For this purpose we apply a fully charge self-consistent combination of Density-Functional…
Theoretical descriptions of the spectrum of electronic excitations in real metals have not yet reached a fully predictive, "first-principles" stage. In this paper we begin by presenting brief highlights of recent progress made in the…