相关论文: Effects of Ba doping on the structural and electro…

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…

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,…

First principles band-structure calculations for large supercells of Ba$_{2}$CuO$_{4-\delta}$ and La$_{2}$CuO$_{4-\delta}$ with different distributions and concentrations of oxygen vacancies show that the effective doping on copper sites…

In the present work we report the band structure calculations for the high temperature superconductor Nd$_{2-x}$Ce$_x$CuO$_4$ in the regime of strong electronic correlations within an LDA+GTB method, which combines the local density…

The spin dynamics in single crystal, electron-doped Ba(Fe1-xCox)2As2 has been investigated by inelastic neutron scattering over the full range from undoped to the overdoped regime. We observe damped magnetic fluctuations in the normal state…

The electronic structure of YBa2Cu3O6+x and La2-xSrxCuO4 for various values of x has been investigated using hard x-ray photoemission spectroscopy. The experimental results establish that the cleaving of YBa2Cu3O6+x compounds occurs…

The electronic structure of Ba$_2$Ti$_2$Fe$_2$As$_4$O, a newly discovered superconductor, is investigated using first-principles calculations based on local density approximations. Multiple Fermi surface sheets originating from Ti-3$d$ and…

Aliovalent doping of the two-dimensional dimer antiferromagnet SrCu$_2$(BO$_3$)$_2$ has long been proposed as a potential route toward realizing resonating valence bond (RVB) superconductivity in this system; however, experimental progress…

We have studied the structural and electronic properties of Mg(1-x)Al(x)B2 within the Virtual Crystal Approximation (VCA) by means of first-principles total-energy calculations. Results for the lattice parameters, the electronic band…

We report the effects of Al-doping on the structure and magnetic properties in CaBa(Co$_{1-x}$Al$_{x}$)$_4$O$_7$ (0$\leq$x$\leq$0.25). The system exhibits a structural transition from an orthorhombic symmetry to a hexagonal symmetry when…

Two critical points have been revealed in the normal-state phase diagram of the electron-doped cuprate superconductor Nd$_{2-x}$Ce$_x$CuO$_4$ by exploring the Fermi surface properties of high quality single crystals by high-field…

All previous cuprate superconductors display a set of common features: (i) vicinity to a Cu 3$d^{9}$ configuration; (ii) separated CuO$_2$ planes; (iii) superconductivity for doping $\delta \sim$ 0.1$-$0.3. Recently [PNAS {\bf 24}, 12156…

Studies of the doping process can provide a better understanding of the superconducting mechanisms in cuprous oxide materials. In this work, we studied the doping effects on the crystal structure, electric, morphologic and magnetic…

Recent discovery of superconductivity at a transition temperature of $73$K in the doped layered compound Ba$_{2}$CuO$_{3+x}$ for $x\sim 0.2$ has generated a lot of interest. Experiments in this alternately stacked oxygen octahedral and…

We report on doping dependencies of structural parameters and superconducting transition temperatures in the solid solution (Ba1-xKx)Fe2As2. As the main effect of doping on the crystal structure, we find linear decreasing As-Fe-As bond…

The electronic structure of BaFe2As2 doped with Co, Ni, and Cu has been studied by a variety of experimental and theoretical methods, but a clear picture of the dopant 3d states has not yet emerged. Herein we provide experimental evidence…

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…

The electronic structure of the La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) system has been studied by angle-resolved photoemission spectroscopy (ARPES). We report on the evolution of the Fermi surface, the superconducting gap and the band dispersion…

We report a systematic study of electron doping of Sr2RuO4 by non-isovalent substitution of La^(3+) for Sr^(2+). Using a combination of de Haas-van Alphen oscillations, specific heat, and resistivity measurements, we show that electron…

Density functional calculations are used to investigate the doping dependence of the electronic structure and magnetic properties in hexagonal Na$_x$CoO$_2$. The electronic structure is found to be highly two dimensional, even without…