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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…

The structural and electronic properties of La$_{2-x}$Ba$_x$CuO$_4$ were investigated as a function of Ba-concentration $0 \leq x \leq 1.2$, within the virtual crystal approximation (VCA) by means of first-principles total-energy…

The Bi-O pockets problem, namely, the appearance in theoretical ab initio calculations of the electronic band structure of Bi-cuprates of a pocket of states at the Fermi energy ($E_F$) that is attributed to states belonging to the Bi-O…

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…

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,…

By partially doping Pb to effectively suppress the superstructure in single-layered cuprate Bi2Sr2CuO6+{\delta}(Pb-Bi2201) and annealing them in vacuum or in high pressure oxygen atmosphere, a series of high quality Pb-Bi2201 single…

Application of a significantly large bias voltage to small Bi2Sr2CaCu2O8+x mesa structures leads to persistent doping of the mesas. Here we employ this effect for analysis of the doping dependence of the electronic spectra of Bi-2212 single…

We have performed angle-resolved photoemission and core-level x-ray photoemission studies of the single-layer cuprate Bi$_2$Sr$_{2-x}$La$_x$CuO$_{6+\delta}$ (Bi2201) and revealed the doping evolution of the electronic structure from the…

We report the observation of a change in Fermi surface topology of Bi2Sr2CaCu2O8 with doping. By collecting high statistics ARPES data from moderately and highly overdoped samples and dividing the data by the Fermi function, we answer a…

Bismuth selenide (Bi2Se3) is a good topological insulator (TI) with its surface band Dirac point inside the bulk bandgap. However, Bi2Se3 films grown by molecular beam epitaxy (MBE) often require tuning of Fermi level near the Dirac point…

Bi$_2$Se$_3$ is one of the most promising topological insulators, but it suffers from intrinsic n-doping due to Se-vacancies, which shifts the Fermi level into the bulk conduction band, leading to topologically trivial carriers. Recently it…

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…

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…

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…

The recent report of superconductivity in the Cu-doped PbPO compound stimulates the extensive researches on its physical properties. Herein, the detailed atomic and electronic structures of this compound are investigated, which are the…

A detailed and systematic ARPES investigation of the doping-dependence of the normal state Fermi surface (FS) of modulation-free Bi(Pb)2212 is presented. The FS does not change in topology away from hole-like at any stage. The FS area does…

A new doping mechanism is described, whereby a doping impurity does not simply transfer charge to the bands of a host semiconductor or semimetal, but rearranges the core energy levels deep in the valence band of the host. This, in turn,…

We report the systematic study of structural, magnetic and electrical transport properties of $Y_{2-x}Bi_xIr_2O_7$ (x = 0.0, 0.1, 0.2, 0.3) pyrochlore iridates. The chemical doping enhances electrical conductivity and antiferromagnetic…

The electronic structure of the intercalated iron-based superconductor Ba2Ti2Fe2As4O (Tc - 21.5 K) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field…

High resolution angle resolved photoemission data from Pb doped Bi_2Sr_2CaCu_2O_8 (Bi2212) with suppressed superstructure is presented. Improved resolution and very high momentum space sampling at various photon energies reveal the presence…