相关论文: Influence of Mn doping on the microstructure and o…

The magneto-optical properties of Ga$_{1-x}$Mn$_{x}$As including their most common defects were investigated with precise first--principles density-functional FLAPW calculations in order to: {\em i}) elucidate the origin of the features in…

We report the electronic structure studies of well characterized polycrystalline Zn_{1-x}Fe_xO (x = 0.0, 0.01, 0.03, and 0.05) nanorods synthesized by a co-precipitation method through x-ray absorption fine structure (XAFS). X-ray…

Our predictions, based on density-functional calculations, reveal that surface doping of ZnO nanowires with Bi leads to a linear-in-$k$ splitting of the conduction-band states, through spin-orbit interaction, due to the lowering of the…

Magneto-optic studies of ZnO doped with transition metals Co, Mn, V and Ti indicate a significant magnetic circular dichroism (MCD) at the ZnO band edge at room temperature, together with an associated dispersive Faraday rotation. Similar…

We report the magnetotransport properties of Bi_{2}Sr_{2-x}La_{x}Cu_{1-z}Zn_{z}O_{6+\delta} (Zn-doped BSLCO) single crystals with z of up to 2.2%. Besides the typical Zn-doping effects on the in-plane resistivity and the Hall angle, we…

In this paper, the structural, electronic and optical properties of tin-monoxide and the impact of Indium (In) doping into tin-monoxide are computed by Local Density Approximation (LDA) under density function theory (DFT) framework. The…

In this paper, the effects of changes in Sol concentration on the structural and optical properties of SnO2 Nanoparticles are studied through the Sol-Gel method. SnO2 Nanoparticles are produced from different SnO2 solution concentrations…

Si doped ZnO has been reported to be a better conductor than pure ZnO. It is reported that carrier density increases and hence conductivity increases. However, the effect on optical transmission is yet not clear until our recent report [1].…

Electronic band structure and optical properties of zinc monochalcogenides with zinc-blende- and wurtzite-type structures were studied using the ab initio density functional method within the LDA, GGA, and LDA+U approaches. Calculations of…

We study the distribution of electronic spectral weight in a doped antiferromagnet with various types of charge order and compare to angle resolved photoemission experiments on lightly doped La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) and electron doped…

Using density functional theory (DFT) based electronic structure calculations, the effects of morphology of semiconducting nano structures on the magnetic interaction between two magnetic dopant atoms as well as a possibility of tuning band…

Electromagnetic properties of doped perovskites depend sensitively on the doping level. Both the superconducting transition temperature of Bi2Sr2Ca(Pr)Cu2O8+d compounds and the magnetic and electronic transport properties of La(Sr)Co(Fe)O3…

Films of cerium-doped LaMnO$_3$, which has been intensively discussed as an electron-doped counterpart to hole-doped mixed-valence lanthanum manganites during the past decade, were analyzed by x-ray photoemission spectroscopy with respect…

Based on the full band electronic structure calculations, first we consider the effect of n-type doping on the optical absorption and the refractive index in wurtzite InN and GaN. We identify quite different dielectric response in either…

The modifications in the electronic structure of Ni_{2+x}Mn_{1-x}Ga by Ni doping have been studied using full potential linearized augmented plane wave method and ultra-violet photoemission spectroscopy. Ni 3d related electron states appear…

A first-principles study has been performed to evaluate the electronic and optical properties of wurtzite Zn1-xCdxO up to x=0.25. We have employed the Perdew-Burke-Ernzerhof (PBE) form of generalized gradient approximation within the…

In monolayer graphene, substitutional doping during growth can be used to alter its electronic properties. We used scanning tunneling microscopy (STM), Raman spectroscopy, x-ray spectroscopy, and first principles calculations to…

Dependence of structural parameters on the size of nanoparticles is a topic of general interest where the effect of shape is often neglected. We report a comprehensive study on size dependent structural parameters of ZnO nanostructures (NS)…

Combining experiments with first principles calculations, we show that site-specific doping of Mn into SrTiO3 has a decisive influence on the dielectric properties of these doped systems. We find that phonon contributions to the dielectric…

In this work, we study the effect of doping the Rutile-type dioxide SnO2 material by the non-metal Sulfur (S) atoms on the electronic properties. In fact, we have used the ab-initio method applied on the basis of the Density Functional…