Related papers: Charge-doping-induced variation of BaFe$_2$As$_2$ …
We report density functional calculations of the electronic structure and Fermi surface of the BaFe$_2$As$_2$ and LiFeAs phases including doping via the virtual crystal approximation. The results show that contrary to a rigid band picture,…
This work investigates nematic fluctuations and electronic correlations in the hole-doped iron pnictide superconductor Ba$_{1-x}$K$_x$Fe$_2$As$_2$ by means of longitudinal and transverse elastoresistance measurements over a wide doping…
We present detailed LDA'+DMFT investigation of doping dependence of correlation effects in novel K{1-x}Fe{2-y}Se2 superconductor. Calculations were performed at four different hole doping levels, starting from hypothetical stoichiometric…
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 study the effects of electron-electron interactions and hole doping on the electronic structure of Cu-doped NaFeAs using the density functional theory plus dynamical mean-field theory (DFT+DMFT) method. In particular, we employ an…
The electronic structure of the intercalated iron-based superconductor Ba2Ti2Fe2As4O (Tc - 21.5 K) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field…
The phase diagram of the high-Tc cuprates is dominated by the Mott insulating phase of the parent compounds. As we approach it from large doping, a standard Fermi-liquid gradually turns into a bad non-Fermi liquid metal, a process which…
Doping dependence of the superconducting state structure and spin-fluctuation pairing mechanism in the $Ba(Fe_{1-x}Co_{x})_{2}As_{2}$ family is studied. BCS-like analysis of experimental data shows that in the overdoped regime, away from…
The electronic states near the Fermi level of recently discovered superconductor Ba$_2$CuO$_{4-\delta}$ consist primarily of the Cu $d_{x^2-y^2}$ and $d_{3z^2-r^2}$ orbitals. We investigate the electronic correlation effect and the orbital…
We carried out a comparative study of the in-plane resistivity and optical spectrum of doped BaFe2As2 and investigated the doping evolution of the charge dynamics. For BaFe2As2, charge dynamics is incoherent at high temperatures. Electron…
We compute the electronic properties of the normal state of uncollapsed LaFe$_2$As$_2$, taking into account local dynamical correlations by means of slave-spin mean-field+density-functional theory. Assuming the same local interaction…
Using a combination of th local-density approximtion (LDA) and dynamicla mean-field theory (DMFT) calculations, we explore the correlated electronic structure of a member of the layered Iron oxychalcogenide Na_{2}Fe_{2}OSe_{2}. We find that…
We investigate via LDA+DMFT (local density approximation combined with dynamical mean field theory) the manifestation of correlation effects in a wide range of binding energies in the hole-doped family of Fe-pnictides $A$Fe$_2$As$_2$…
Using first-principles density functional theory calculations, we investigated the effect of charge doping in a LaNiO$_3$/SrTiO$_3$ superlattice. The detailed analysis based on two different simulation methods for doping clearly shows that…
We present a comprehensive study of the low-temperature heat capacity and thermal expansion of single crystals of the hole-doped Ba1-xKxFe2As2 series (0<x<1) and the end-members RbFe2As2 and CsFe2As2. A large increase of the Sommerfeld…
In the recent studies of the unconventional physics in cuprate superconductors, one of the central issues is the interplay between charge order and superconductivity. Here the mechanism of the charge-order formation in the electron-doped…
Among numerous hypotheses, recently proposed to explain superconductivity in iron-based superconductors [1-9], many consider Fermi surface (FS) nesting [2, 4, 8, 10] and dimensionality [4, 9] as important contributors. Precise determination…
It is widely recognised that the effect of doping into a Mott insulator is complicated and unpredictable, as can be seen by examining the Hall coefficient in high $T_{\rm c}$ cuprates. The doping effect, including the electron-hole doping…
Motivated by recent experimental progress on iron-based ladder compounds, we study the doped two-orbital Hubbard model for the two-leg ladder BaFe$_2$S$_3$. The model is constructed by using {\it ab initio} hopping parameters and the ground…
The superconductivity in high temperature superconductors ordinarily arises when doped with hetero-valent ions that introduce charge carriers. However, in ferropnictides, "iso-valent" doping, which is generally believed not to introduce…