Related papers: The calculation of the effective interaction param…
Effects of Coulomb correlation on LaOFeAs electronic structure have been investigated by LDA+DMFT(QMC) method. The calculation results show that LaOFeAs is in the regime of intermediate correlation strength with significant part of the…
We present a study of the structural phase transition, mechanical and thermodynamic properties of UO$_{2}$ by means of the local density approximation (LDA)$+U$ approach. A phase transition pressure of 40 GPa, which agrees well with the…
In this Letter we report the LDA+DMFT (method combining Local Density Approximation with Dynamical Mean-Field Theory) results for magnetic properties of parent superconductor LaFeAsO in paramagnetic phase. Calculated uniform magnetic…
Dynamics of strongly interacting Fermi gases, consisting of a 50-50 mixture of two different fermionic species, is investigated. For the equation of state we consider a Pad\'{e} [2/2] approximations, which gives the weak-coupling…
The dynamical mean-field theory together with the non-crossing approximation is used to set up a novel scheme to study the electronic structure of strongly correlated electron systems. The non-interacting band structure is obtained from a…
Coulomb interaction between electrons on p-orbitals of oxygen atom in strongly correlated compounds is not negligible, since its value (U_p) has comparable order of magnitude with the value of Coulomb interaction on d-orbitals of transition…
The electrical double layer (EDL) at aqueous solution-metal oxide interfaces critically affects many fundamental processes in electrochemistry, geology and biology, yet understanding its microscopic structure is challenging for both theory…
Results of resonant inelastic X-ray scattering (RIXS) measurements at Fe L-edges and electronic structure calculations of LiFeAs and NaFeAs are presented. Both experiment and theory show that in the vicinity of the Fermi energy, the density…
To investigate the role of the interface state on the physical properties of Schottky contacts, Co/n-Ge Schottky diodes that have undergone various cleaning methods (HF etching and in-situ thermal cleaning) were studied by Transmission…
Over the last years, superconductivity has been discovered in several families of iron-based compounds. Despite intense research, even basic electronic properties of these materials, such as Fermi surfaces, effective electron masses, or…
We have investigated the electronic structure of polycrystalline Ca$_2$FeReO$_6$ using photoemission spectroscopy and band-structure calculations within the local-density approximation+$U$ (LDA+$U$) scheme. In valence-band photoemission…
In this paper, we propose an efficient implementation of combining Dynamical Mean field theory (DMFT) with electronic structure calculation based on the local density approximation (LDA). The pseudo-potential-plane-wave method is used in…
The fermionic Hubbard model plays a fundamental role in the description of strongly correlated materials. Here we report on the realization of this Hamiltonian using a repulsively interacting spin mixture of ultracold $^{40}$K atoms in a 3D…
We report measurements of the London penetration depth [$\Delta\lambda(T)$] of the recently discovered iron-based superconductor (Li$_{1-x}$Fe$_x$)OHFeSe, in order to characterize the nature of the superconducting gap structure. At low…
Atoms and ions of Lanthanides have multiple opens shells along with an open $4f^k$ subshell. This paper studies the effect of electron correlation in such systems and how wave functions can be determined for the accurate prediction of…
We theoretically consider Fermi surface anomalies manifesting in the temperature dependent quasiparticle properties of two-dimensional (2D) interacting electron systems, comparing and contrasting with the corresponding 3D Fermi liquid…
Two fundamental extensions to the function of previously described fully field effect two-dimensional (2D) electron heterostructures are presented: First, using the same basic heterostructure design of lithographically defined contacts…
Using angle-resolved photoemission spectroscopy (ARPES), we revealed the surface electronic structure and superconducting gap of (Li$_{0.8}$Fe$_{0.2}$)OHFeSe, an intercalated FeSe-derived superconductor without antiferromagnetic phase or…
We have performed density functional theory (DFT) calculations using the linearized augmented plane wave method (LAPW) with the local density approximation (LDA) functional to study the electronic structure of the iron-based superconductor…
Oxide heterostructures are of great interest both for fundamental and applicative reasons. In particular the two-dimensional electron gas at the LaAlO$_3$/SrTiO$_3$ or LaTiO$_3$/SrTiO$_3$ interfaces displays many different physical…