Related papers: Doping effects on the electronic and structural pr…
We investigate the electronic structure and magnetic properties of a $J_\text{eff} = 1/2$ iridate Ca$_4$IrO$_6$ and the implications of doping electrons and holes using ab initio density functional theory. Our calculations considering…
Solid state synthesis and physical mechanisms of electrical conductivity variation in polycrystalline, strontium doped indium oxide In2O3:(SrO)x were investigated for materials with different doping levels at different temperatures…
The pseudogap, d-wave superconductivity and electron-boson coupling are three intertwined key ingredients in the phase diagram of the cuprates. Sr$_2$IrO$_4$ is a 5d-electron counterpart of the cuprates in which both the pseudogap and a…
Neutron scattering experiments were performed on the undoped and hole-doped Ca$_{2+x}$Y$_{2-x}$Cu$_5$O$_{10}$, which consists of ferromagnetic edge-sharing CuO$_2$ chains. It was previously reported that in the undoped…
Incommensurate (IC) charge-order (CO) and spin density wave (SDW) order in electron doped SrMn1-xWxO3-{\delta} (x= 0.08 to 0.1875) have been studied using neutron diffraction.The study highlights the drastic effect of electron doping on the…
Density functional theory (DFT) and DFT corrected for on-site Coulomb interactions (DFT+U) calculations are presented on Aluminium doping in bulk TiO$_2$ and the anatase (101) surface. Particular attention is paid to the mobility of oxygen…
A material which is an insulator entirely because of interaction effects is called a correlated insulator. Examples are trans-polyacetylene and the cuprate high temperature superconductors. Whereas doping of a band insulator results in a…
ThCoC$_2$ is a non-BCS, noncentrosymmetric superconductor with $T_c \simeq 2.5$~K, in which pairing mechanism was suggested to be either spin fluctuations or the electron-phonon coupling. Earlier experimental work revealed that $T_c$ can be…
We have investigated the charge dynamics of VO2 by optical reflectivity measurements. Optical conductivity clearly shows a metal-insulator transition. In the metallic phase, a broad Drude-like structure is observed. On the other hand, in…
Few- and single-layer MoS2 host substantial densities of defects. They are thought to influence the doping level, the crystal structure, and the binding of electron-hole pairs. We disentangle the concomitant spectroscopic expression of all…
We use inelastic neutron scattering to study the evolution of the generalized phonon density of states (GDOS) of the $n$-type high-$T_c$ superconductor Nd$_{2-x}$Ce$_x$CuO$_{4+\delta}$ (NCCO), from the half-filled Mott-insulator ($x=0$) to…
In this paper we present a thorough first-principles based density functional theory study of the structural stability, electronic, magnetic, and optical properties of pristine and doped gallium phosphide (GaP) monolayers. The pristine GaP…
The present work reports synthesis, as well as a detailed and careful characterization of structural, magnetic, and dielectric properties of differently tempered undoped and doped CaCu3Ti4O12 (CCTO) ceramics. For this purpose, neutron and…
Measurements by high-resolution electron energy-loss spectroscopy (HREELS) of NaxCoO2 reveal spectral features that differ remarkably between the metallic Na0.33CoO2 and the charge-ordered insulator Na0.5CoO2. Calculations by density…
Electronic structures and optical properties of C-N-codoped anatase TiO2 were calculated by using GGA+U method based on the density functional theory. The calculated results showed that the N-doped, C-doped, and C-N-codoped TiO2 produced 2p…
Bulk n-type SrTiO3 (STO) has long been known to possess a superconducting ground state at an exceptionally dilute carrier density. This has raised questions about the applicability of the BCS-Eliashberg paradigm with its underlying…
$Na_xCoO_2$ that comprises of alternating Na and $CoO_2$ layers has exotic magnetic and thermoelectric properties that could favorably be manipulated by adding dopants or varying Na concentration. In this work, we investigated the…
In this study, the structural, electronic and optical properties of Pb doped rutile SnO$_2$ were investigated using the range separated hybrid exchange-correlation functional method. In the calculations, LDA functional was used instead of…
The electronic structure of CoO is studied by resonant inelastic soft X-ray scattering spectroscopy using photon energies across the Co 2p absorption edges. The different spectral contributions from the energy-loss structures are identified…
We analyze the density of state (DOS) and a non-magnetic impurity effect in electron-doped cuprates starting from two different scenarios: the $d_{x^{2}-y^{2}}$-wave superconductivity coexisting with antiferromagnetic spin density wave…