Related papers: Is p-Type Doping in SeO2 Feasible?

We have calculated the one-electron susceptibility of hydrated NaxCoO2 and find strong nesting nearly commensurate with a 2X2 superstructure. The nesting involves about 70% of all electrons at the Fermi level and is robust with respect to…

Very recently, the tetragonal BiOCuS was synthesized and declared as a new superconducting system with Fe-oxypnictide - related structure. Here, based on first-principle FLAPW-GGA calculations, the structural parameters, electronic bands…

Fermiology of various 122 systems are studied through first principles simulation. Electron doping causes expansion of electron and shrinkage of hole Fermi pockets. Isovalent Ru substitution (upto 35%) makes no visible modification in the…

Understanding the detailed electronic structure of deep defect states in narrow band-gap semiconductors has been a challenging problem. Recently, self-consistent ab initio calculations within density functional theory (DFT) using supercell…

The iron-based LaFeAsO$_{1-x}$F$_x$ recently discovered by Hosono's group is a fresh theoretical challenge as a new class of high-temperature superconductors. Here we describe the electronic structure of the material and the mechanism of…

Doped films of organic small molecules are investigated with respect to their thermoelectric properties. A variety of hosts and dopants, for both n and p-doping, are compared. C$_{60}$ n-doped by Cr$_2$(hpp)$_4$ or o-MeO-DMBI-I are found to…

At low energy scales charge transport in the insulating Si:P is dominated by activated hopping between the localized donor electron states. Thus, theoretical models for a disordered system with electron-electron interaction are appropriate…

For the first time, polyethyleneimine (PEI) doping on multilayer MoS2 field-effect transistors are investigated. A 2.6 times reduction in sheet resistance, and 1.2 times reduction in contact resistance have been achieved. The enhanced…

We show that by Ca-doping the Bi2Se3 topological insulator, the Fermi level can be fine tuned to fall inside the band gap and therefore suppress the bulk conductivity. Non-metallic Bi2Se3 crystals are obtained. On the other hand, the Bi2Se3…

We investigated the thermodynamic properties of the Fe-based lightly disordered superconductor Ba$_{0.05}$K$_{0.95}$Fe$_2$As$_2$ in external magnetic field H applied along the FeAs layers (H//ab planes). The superconducting (SC) transition…

In this paper we investigate, computationally and experimentally, the phase stability, electronic structure properties, and the propensity for n-type doping of In$_{2}$X$_{2}$O$_{7}$ (X=Si, Ge) ternary oxides. This family of materials…

We have investigated the doping dependence of the penetration depth vs. temperature in electron doped Pr$_{2-x}$Ce$_x$CuO$_{4-\delta}$ using a model which assumes the uniform coexistence of (mean-field) antiferromagnetism and…

Electrically tuning long-range magnetic orders has been realized in two-dimensional (2D) semiconductors via electrostatic doping. On the other hand, the observations are highly diverse: the transition can be realized by either electrons or…

We report a reinvestigation of superconducting Sn$_{1-x}$In$_{x}$Te at both low and high In doping levels. Analysis of the superconductivity reveals a fundamental change as a function of \textit{x}: the system evolves from a weakly coupled…

Over the last years, superconductivity has been discovered in several families of iron-based compounds. Despite intense research, even basic electronic properties of these materials, such as Fermi surfaces, effective electron masses, or…

Na$_{2}$OsO$_{4}$ is an unusual quantum material that, in contrast to the common 5${d}^{2}$ oxides with spins = 1, owns a magnetically silent ground state with spin = 0 and a band gap at Fermi level attributed to a distortion in the…

Superconductivity at 33 K in Sr2VO3FeAs is completely suppressed by small amounts of V-doping in Sr2VO3[Fe0.93(+/-0.01)V0.07(+/-0.01)]As. The crystal structures and exact stoichiometries are determined by combined neutron- and x-ray powder…

To clarify the electronic density of states (DOS) around the conduction band bottom for state of the art transparent amorphous oxide semiconductors (TAOSs), InGaZnO4 and In2MgO4, we fabricated TAOS-based transparent thin film transistors…

First-principles calculations based on density functional theory have been carried out to understand the mechanism of fabricating As-doped p-type ZnO semiconductors. It has been confirmed that AsZn-2VZn complex is the most plausible…

X-ray emission (XES) and absorption (XAS) spectra near the B-$K$ edge were measured on single-crystalline AlB$_2$ compound which is an isostructural diboride of superconducting MgB$_2$. The partial density of states (PDOS) of B-2$p\sigma$…