相关论文: Detailed analysis of the Bi-O pockets problem in $…

We present for the first time the band structure calculation of $Bi_2Sr_2Ca_2Cu_3O_{10}$ compound in the tetragonal structure (space group $I4/mmm$). We used the Local Density Approximation (LDA) as in the Wien2k code. We analyze in detail…

Pb doping effect in the Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10}$ compound (Bi2223) on the structural and electronic properties were investigated, using the Local Density (LDA) and Virtual Crystal (VCA) approximations within the framework of the…

The Fermi surface (FS) of Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ (Bi2212) predicted by band theory displays Bi-related pockets around the $(\pi,0)$ point, which have never been observed experimentally. We show that when the effects of hole…

We present detailed first-principles calculations for the normal state electronic properties of the high T$_C$ superconductor Bi$_2$Sr$_2$CaCu$_2$O$_8$, by means of the linearized augmented plane wave (LAPW) method within the framework of…

The detection of quantum oscillations in the electrical resistivity of YBa2Cu3O6.5 provides direct evidence for the existence of Fermi surface pockets in an underdoped cuprate. We present a theoretical study of the electronic structure of…

Newly discovered Bi-O-S compounds remain an enigma in attempts to understand their electronic properties. A recent study of Bi$_{4}$O$_{4}$S$_{3}$ has shown it to be a mixture of two phases, Bi$_{2}$OS$_{2}$ and Bi$_{3}$O$_{2}$S$_{3}$, the…

In our Nature paper, we reported observation of Fermi pocket in Bi_2(Sr_{2-x}La_x)CuO_{6+\delta} (La-Bi2201) by angle-resolved photoemission (ARPES) measurements. King et al. tried to assign the Fermi pocket we observed as due to an…

Novel imaging methods show that the mobile dopants in optimum doped La$_2$CuO$_{4+y}$ (LCO) get self-organized, instead of randomly distributed. Rigid-band models fail because of ordering of dopants and supercell calculations are required…

We study the Fermi surface of metallic, non-magnetic \textit{ortho}-II YBa$_2$Cu$_3$O$_{6.5}$ using three different density-functional-based band-structure techniques (GGA, GGA+U, PSIC). The calculated Fermi surface exhibits no pockets in…

N. Doiron-Leyraud et al. in [1] report on the experimental observation of small holes pockets in the energy spectrum of YBa2Cu3Oy (YBCO) coming below the transition into the charge ordered (CO) phase as a result of a Fermi surface (FS)…

Recent quantum oscillation experiments in underdoped high temperature superconductors seem to imply two paradoxes. The first paradox concerns the apparent non-existence of the signature of the electron pockets in angle resolved…

High temperature superconductivity in cuprate superconductors is generally considered to be generated from doping the Mott insulators. The fundamental nature of the doped parent compounds as well as the microscopic origin of electron…

We observe apparent hole pockets in the Fermi surfaces of single-layer Bi-based cuprate superconductors from angle-resolved photoemission (ARPES). From detailed low-energy electron diffraction measurements and an analysis of the ARPES…

The mystery of the normal state in the underdoped cuprates has deepened with the use of newer and complementary experimental probes. While photoemission studies have revealed solely `Fermi arcs' centered on nodal points in the Brillouin…

Band structure calculations are presented for large supercells of Ba$_2$CuO$_4$ (BCO) with O-vacancies in planar or apic al positions, and of superoxygenated La$_2$CuO$_4$ (LCO) with oxygen interstitials in the La$_2$O$_2$ layers. It is…

High-temperature superconductivity occurs as copper oxides are chemically tuned to have a carrier concentration intermediate between their metallic state at high doping and their insulating state at zero doping. The underlying evolution of…

We investigate the electronic structure and Fermi surface of Co$_{1/3}$TaS$_2$ using angle-resolved photoemission spectroscopy (ARPES) combined with theoretical modeling beyond standard density functional theory (DFT+U). A shallow electron…

SrTiO3 has attracted considerable interest as a wide-band gap semiconductor for advanced high-k capacitors and photocatalytic applications. Although previous angle-resolved photoemission spectroscopy (ARPES) studies have characterized the…

Motivated by the recently renewed interest in the superconducting bismuth perovskites, we investigate the electronic structure of the parent compounds ABiO$_{3}$ (A= Sr, Ba) using $ab$ $initio$ methods and tight-binding (TB) modeling. We…

We investigate the superconducting (SC) properties of experimentally realised $\gamma$-BiPd by solving the anisotropic Migdal-Eliashberg equations in conjunction with {\it ab initio} relativistic calculations of the electron and phonon band…