Related papers: Maximizing Fermi surface multiplicity optimizes su…
We have performed the first-principles electronic structure calculation for the novel superconductor Ca4Al2O6Fe2As2 which has the smallest a lattice parameter and the largest As height from the Fe plane among the Fe-As superconductors. We…
The iron-pnictide superconductors have a layered structureformed by stacks of FeAs planes from which the superconductivity originates. Given the multiband and quasi three-dimensional \cite{3D_SC} (3D) electronic structure of these…
Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise…
Recent measurements of Fermi surface with de Haas-van Alphen oscillations in LaFePO showed a shrinking of the Fermi pockets with respect to first-principle LDA calculations, suggesting an energy shift of the hole and electrons bands with…
The interplay of structural and electronic phases in iron-based superconductors is a central theme in the search for the superconducting pairing mechanism. While electronic nematicity, defined as the breaking of four-fold symmetry triggered…
In several parent iron-pnictide compounds the resistivity has an extended range of linear magnetic field dependence. We argue that there is a simple and natural explanation of this behavior. Spin density wave transition leads to…
The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and…
Band structures of pressure-induced CeNiGe3 and exotic BCS-like YNiGe3 superconductors have been calculated employing the full-potential local-orbital code. Both the local density approximation (LDA) and LDA+U treatment of the…
We have studied the three-dimensional shapes of the Fermi surfaces (FSs) of BaFe2(As1-xPx)2 (x=0.38), where superconductivity is induced by isovalent P substitution, by angle-resolved photoemission spectroscopy. Moderately strong electron…
Electronic band structures (EBSs) for orthorhombic beta FeSe1-x at less than 16 K and up to 23 GPa using experimentally determined cell dimensions are evaluated for cosine-shaped bands near, or crossing, EF. Cosine shaped bands are present…
A very fundamental and unconventional characteristic of superconductivity in iron-based materials is that it occurs in the vicinity of {\it two} other instabilities. Apart from a tendency towards magnetic order, these Fe-based systems have…
The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi Surface nesting of hole and electron pockets when in the…
The isovalent-substituted iron-pnictide superconductor SrFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ ($x$=0.35) has a slightly higher optimum critical temperature than the similar system BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$, and its parent compound…
The three-dimensional band structure and superconducting gap of Ba0.6K0.4Fe2As2 are studied with high-resolution angle-resolved photoemission spectroscopy. In contrast to previous results, we have identified three hole-like Fermi surfaces…
We analyze the interplay between the absence or presence of the nodes in the superconducting gap along electron Fermi surfaces (FSs) in Fe-pnictides, and 2Delta/T_c along hole FSs, measured by ARPES. We solve the set of coupled gap…
Bulk FeSe is superconducting with a critical temperature $T_c$ $\cong$ 8 K and SrTiO$_3$ is insulating in nature, yet high-temperature superconductivity has been reported at the interface between a single-layer FeSe and SrTiO$_3$. Angle…
I present the results of first principles calculations of the electronic structure and magnetic interactions for the recently discovered superconductor YFe$_2$Ge$_2$ and use them to identify the nature of superconductivity and quantum…
Amongst the iron-based superconductors, LiFeAs is unrivalled in the simplicity of its crystal structure and phase diagram. However, our understanding of this canonical compound suffers from conflict between mutually incompatible…
Systematic ab initio LDA calculations were performed for all the typical representatives of recently discovered class of iron based high-temperature superconductors: REOFe(As,P) (RE=La,Ce,Nd,Sm,Tb), Ba2Fe2As, (Sr,Ca)FFeAs, Sr4Sc2O6Fe2P2,…
We have discovered a new iron pnictide oxide superconductor (Fe2As2)(Sr4(Mg,Ti)2O6). This material is isostructual with (Fe2As2)(Sr4M2O6) (M = Sc, Cr), which was found in our previous study. The structure of this compound is tetragonal with…