Related papers: Electronic Structure and Lattice dynamics of NaFeA…
Existing Quantum Monte Carlo studies have investigated the properties of fermions on a Lieb (CuO$_2$) lattice interacting with an on-site, or near-neighbor electron-electron coupling. Attention has focused on the interplay of such…
The electronic structure of Na2Ti2Sb2O, a parent compound of the newly discovered titanium-based oxypnictide superconductors, is studied by photon energy and polarization dependent angle-resolved photoemission spectroscopy (ARPES). The…
Scanning tunnelling microscopy and low energy electron diffraction show a dimerization-like reconstruction in the one-dimensional atomic chains on Bi(114) at low temperatures. While one-dimensional systems are generally unstable against…
CaFe2As2 exhibits collapsed tetragonal (cT) structure and varied exotic behavior under pressure at low temperatures that led to debate on linking the structural changes to its exceptional electronic properties like superconductivity,…
The lattice dynamics and the effect of pressure on superconducting LiFeAs in both nonmagnetic (NM) and striped antiferromagnetic (SAF) phases are investigated using the plane-wave pseudopotential, density-functional-based method. While the…
Fe-based superconductors have drawn much attention during the last decade due to the finding of superconductivity in materials containing the magnetic element, Fe, and the coexistence of superconductivity & magnetism. Extensive study of the…
Electronic structures of a superconductor without inversion symmetry, LaPdSi3, and its non-superconducting counterpart, LaPdGe3, have been calculated employing the full-potential local-orbital method within the density functional theory.…
The superconductivity discovered in iron-pnictides is intimately related to a nematic ground state, where the C4 rotational symmetry is broken via the structural and magnetic transitions. We here study the nematicity in NaFeAs with the…
I present the results of first principles calculations of the phonon dispersions and electron-phonon coupling for BaTi$_2$Sb$_2$O. The phonon dispersions show a weak lattice instability near the zone corners that leads to a charge-density…
De Haas-van Alphen oscillations are studied for Fermi surfaces (FS) illustrating the model proposed by Pippard in the early sixties, namely the linear chain of orbits coupled by magnetic breakdown. This FS topology is relevant for many…
A theoretical study of the electronic properties of nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with…
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…
The electronic structure of HfZn$_{2}$ has been studied based on the density functional theory within the local-density approximation. The calculation indicates that HfZn$_{2}$ shows ferromagnetic instability. Large enhancement of the…
We present a comprehensive study of the evolution of the nematic electronic structure of FeSe using high resolution angle-resolved photoemission spectroscopy (ARPES), quantum oscillations in the normal state and elastoresistance…
Based on First-principles calculation, we have investigated electronic structure of a ZrCuSiAs structured superconductor LaNiPO. The density of states, band structures and Fermi surfaces have been given in detail. Our results indicate that…
We consider an electron-phonon system in two and three dimensions on square, hexagonal and cubic lattices. The model is a modification of the standard Holstein model where the optical branch is appropriately curved in order to have a…
The recently discovered AV$_{3}$Sb$_{5}$ (A = K, Rb, Cs) compounds have garnered intense attention in the scientific community due to their unique characteristics as kagome superconductors coexisting with a charge density wave (CDW) order.…
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,…
The densities of the valence and conduction band electronic states of the newly discovered layered superconductors LaOFeAs, LaO$_{0.87}$F$_{0.13}$FeAs (Tc=26 K), SmO$_{0.95}$F$_{0.05}$FeAs and SmO$_{0.85}$F$_{0.15}$FeAs (Tc=43 K) are…
We present results of it ab initio LDA calculations of electronic structure of "next generation" layered ironpnictide High-Tc superconductor LiFeAs (Tc=18K). Obtained electronic structure of LiFeAs is very similar to recently studied…