Related papers: Electronic Structure and Lattice dynamics of NaFeA…
We present results of ab-initio calculations of the electronic band structure, lattice dynamical properties, and elastic constants of LaOFeAs, the parent compound of the recently discovered superconducting iron-oxypnictide (LaO1-xFxFeAs).…
A heavy-fermion paramagnet UTe$_2$ has been a strong candidate for a spin-triplet superconductor. Experiments on UTe$_2$ under pressure have been vigorously conducted, and rich phase diagrams have been suggested. Multiple superconducting…
Multiple spin density waves and related vortex-type magnetic structures in the itinerant electron system with inversion symmetry have been investigated on the basis of the Hubbard model and the generalized Hartree-Fock approximation…
Metallic materials with kagome lattice structure are interesting because their electronic structures can host flat bands, Dirac cones, and van Hove singularities, resulting in strong electron correlations, nontrivial band topology, charge…
The electronic spectra for double-wall zigzag and armchair nanotubes are found. The influence of nanotube curvatures on the electronic spectra is also calculated. Our finding that the outer shell is hole doped by the inner shell is in the…
The layered structure of the iron based superconductors gives rise to a more or less pronounced two-dimensionality of their electronic structure, most pronounced in LaOFeAs. A consequence are distinct surface states to be expected 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…
A new kinetic instability which results in formation of charge density waves is proposed. The instability is of a purely classical nature. A spatial period of arising space-charge and field configuration is inversely proportional to…
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…
We have studied the ground state of the one dimensional Hubbard superlattice structures with different unit cell sizes in the presence of electric field. Self consistent Hartree-Fock approximation calculation is done in the weak to…
We investigate the electronic and other properties of the hypothetical compound LiFeSb in relation to superconducting LiFeAs and FeSe using density functional calculations. The results show that LiFeSb in the LiFeAs structure would be…
We report a de Haas-van Alphen (dHvA) oscillation study of the 111 iron pnictide superconductors LiFeAs with T_c ~18K and LiFeP with T_c~5K. We find that for both compounds the Fermi surface topology is in good agreement with density…
High resolution photoemission measurements have been carried out on non-superconducting LaOFeAs parent compound and various superconducting R(O1-xFx)FeAs (R=La, Ce and Pr) compounds. We found that the parent LaOFeAs compound shows a…
We present electronic band structure of Ag$_5$Pb$_2$O$_6$ with layered hexagonal structure containing one-dimensional chains and two-dimensional Kagom\'{e} layers of silver. A half-filled conduction band shows extremely simple, single…
We report measurements of the Fermi surface (FS) of the ternary phosphide SrFe$_2$P$_2$ using the de Haas-van Alphen effect. The calculated FS of this compound is very similar to SrFe$_2$As$_2$, the parent compound of the high temperature…
The electronic structures of supercells of CeO$_{2-\delta}$ have been calculated within the Density Functional Theory (DFT). The equilibrium properties such as lattice constants, bulk moduli and magnetic moments are well reproduced by the…
We have investigated the electronic structure of $\mathrm{Sr}_{1-y}\mathrm{Ca}_{y}\mathrm{Fe_{2}}(\mathrm{As}_{1-x}\mathrm{P}_{x}\mathrm{)_{2}}$ ($x$ = 0.25, $y$ = 0.08) by means of angle-resolved photoemission spectroscopy. From the…
We report the electronic structures and transport properties of a chiral crystal NbGe$_2$, which is a candidate for a coupled electron-phonon liquid. The electrical resistivity and thermoelectric power of NbGe$_2$ exhibit clear differences…
In this research, we examine the electronic, magnetic, and lattice properties of the Fe$_4$(P$_2$O$_7$)$_3$ compound using the first principles calculations based on the density functional theory. The crystal lattice has a monoclinic…
We introduce the idea that the electronic band structure of a charge density wave system may mimic the electronic structure of graphene. In that case a class of materials quite different from graphene might be opened up to exploit…