Related papers: Complex structure due to As bonding and interplay …
RbFe2As2 has recently been reported to be a bulk superconductor with Tc = 2.6 K in the undoped state, in contrast to undoped BaFe2As2 with a magnetic ground state. We present here the results of the first-principles calculations of the…
Electronic correlations in the Fe-pnictide BaFe2As2 are explored within LDA+DMFT, the combination of density functional theory with dynamical mean-field theory. While the correlated band structure is substantially renormalized there is only…
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,…
Bi-based cuprate superconductors are important materials for both fundamental research and applications. As in other cuprates, the superconducting phase in the Bi compounds lies close to an antiferromagnetic phase. Our density functional…
We have used angle resolved photoemission spectroscopy to investigate the band structure of ReS$_2$, a transition-metal dichalcogenide semiconductor with a distorted 1T crystal structure. We find a large number of narrow valence bands,…
The electronic structure of electron doped iron-arsenide superconductors Ba(Fe1- xCox)2As2 has been measured with Angle Resolved Photoemission Spectroscopy. The data reveal a marked photon energy dependence of points in momentum space where…
First-principles calculations of the electronic structure of members of the $R$NiC$_2$ series are presented, and their Fermi surfaces investigated for nesting propensities which might be linked to the charge-density waves exhibited by…
In order to understand the unexpected superconducting behavior of MgB$_2$ compound we have made electronic structure calculations for MgB$_2$ and closely related systems. Our calculated Debye temperature from the elastic properties indicate…
Electronic interactions present in material compositions close to the superconducting dome play a key role in the manifestation of high-Tc superconductivity. In many correlated electron systems, however, the parent or underdoped states…
Intrinsic, in-plane anisotropy of electrical resistivity was studied on mechanically detwinned single crystals of SrFe$_2$As$_2$ above and below the temperature of the coupled structural/magnetic transition, $T_{\textrm{TO}}$. Resistivity…
Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs4…
The electronic structure of the Fe-based superconductors is discussed, mainly from the point of view of first principles calculations in relation to experimental data. Comparisons and contrasts with cuprates are made. The problem of…
The discovery of infinite layer nickelate superconductor marks the new era in the field of superconductivity. In the rare-earth (Re) nickelates ReNiO2, although the Ni is also of d9 electronic configuration, analogous to Cu d9 in cuprates,…
The optical properties of a large, detwinned single crystal of BaFe$_2$As$_2$ have been examined over a wide frequency range above and below the structural and magnetic transition at $T_{\rm N}\simeq 138$ K. Above $T_{\rm N}$ the real part…
Electronic nematicity, the breaking of the crystal lattice rotational symmetry by the electronic fluid, is a fascinating quantum state of matter. Recently, BaNi$_2$As$_2$ has emerged as a promising candidate for a novel type of nematicity…
The superconducting and structural properties of a series of Mg1-xAlxB2 samples have been investigated. X-ray diffraction results confirmed the existence of a structural transition associated with the significant change in inter-boron layer…
Structural and electronic characterization of (Ca0.67Sr0.33)Fe2As2 has been performed as a func- tion of pressure up to 12 GPa using conventional and designer diamond anvil cells. The compound (Ca0.67Sr0.33)Fe2As2 behaves intermediate…
Heat capacity, resistivity, and magnetic susceptibility measurements confirm bulk superconductivity in single crystals of BaIr$_2$P$_2$ (T$_c$=2.1K) and BaRh$_2$P$_2$ (T$_c$ = 1.0 K). These compounds form in the ThCr$_2$Si$_2$ (122)…
Chemical bonding and electronic structure of MgB2, a boron-based newly discovered superconductor, is studied using self-consistent band structure techniques. Analysis of the transformation of the band structure for the hypothetical series…
An ordered phase showing remarkable electronic anisotropy in proximity to the superconducting phase is now a hot issue in the field of high-transition-temperature superconductivity. As in the case of copper oxides, superconductivity in iron…