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The effect of Fe doping in the Mn site on the magnetic, transport and structural properties of polycrystalline La1/2Ca1/2MnO3 was studied. Doping with low Fe concentration (< 10%) strongly affects electrical transport and magnetization.…

Materials Science · Physics 2016-08-31 P. Levy , L. Granja , E. Indelicato , D. Vega , G. Polla , F. Parisi

Silver iodide is one of the most potent inorganic ice nucleating particles known, a feature generally attributed to the excellent lattice match between its basal Ag-(0001) and I-(000-1) surfaces, and ice. This crystal termination, however,…

Materials Science · Physics 2020-07-01 Thomas Sayer , Stephen J. Cox

We report the low temperature growth of vertically aligned ZnO nanocolumns on Si substrates by using reactive radio frequency magnetron sputtering.High sputtering pressure combined with low substrate temperatures induce a pronounced self…

Cobalt and silver co-doping has been undertaken in ZnO thin films grown by pulsed laser deposition in order to investigate the ferromagnetic properties in ZnO-based diluted magnetic materials and to understand the eventual relation between…

BaFe$_2$As$_2$ with transition-metal doping exhibits a variety of rich phenomenon from coupling of structure, magnetism, and superconductivity. Using density functional theory, we systematically compare the Fermi surfaces (FS), formation…

Computational Physics · Physics 2014-05-28 Suffian Khan , Aftab Alam , Duane Johnson

High angle annular dark field scanning transmission electron microscopy is used to analyze the polarity of ZnSe nanowires grown, by molecular beam epitaxy, on GaAs substrates. The experimental results are compared to simulated images in…

In this work, nonlinear optical properties of Na: ZnO thin films (Na: ZnO) have been experimentally elaborated. The principal possibility to operate the nonlinear optical features using external laser beams is shown. The Na: ZnO films were…

The controlled modification of the electronic properties of ZnO nanorods via transition metal doping is reported. A series of ZnO nanorods were synthesized by chemical bath growth with varying Co content from 0 to 20 atomic % in the growth…

In this work we aim at understanding the effect of n-type and p-type substitutional doping in the case of matrix-embedded and freestanding Si nanocrystals. By means of ab-initio calculations we identify the preferential positioning of the…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 Roberto Guerra , Stefano Ossicini

Nitriding introduces nitrides into the surface of steels, significantly enhancing the surface me-chanical properties. By combining the variable composition evolutionary algorithm and first-principles calculations based on density functional…

Materials Science · Physics 2024-11-27 Ergen Bao , Jinbin Zhao , Qiang Gao , Ijaz Shahid , Hui Ma , Yixiu Luo , Peitao Liu , Yan Sun , Xing-Qiu Chen

In this work we have employed density-functional theory with hybrid functionals to investigate the atomic and electronic structure of bare and hydrogenated Co doped ZnO nanowires. We find that in the absence of passivation on the nanowire…

Materials Science · Physics 2018-08-09 A. L. Rosa , L. L. Tacca , Th. Frauenheim

We analyze the electrostatic stability of insulating surfaces in the framework of the bulk modern theory of polarization. We show that heuristic arguments based on a fully ionic limit find formal justification at the microscopic level, even…

Materials Science · Physics 2015-05-30 Massimiliano Stengel

Saturation magnetization values close to the bulk have been reported for coated magnetite nanoparticles with organic acids. The mechanism of this effect is not yet understood. Here we show that a previously proposed rationalization in Nano…

Materials Science · Physics 2022-01-05 Enrico Bianchetti , Cristiana Di Valentin

In a nanocomposite of reduced graphene oxide (RGO) and BiFeO$_3$ (BFO), the remanent ferroelectric polarization is found to follow nonmonotonic magnetic field dependence at room temperature as the applied magnetic field is swept across 0-20…

We synthesized and characterized the colloidal suspensions of $FeO \cdot Fe_{(2-x)}Nd_{x}O_{3}$ nanoparticles with $x=0.00, 0.02, 0.04, 0.06 \text{ and }0.1.$ The effect of the $Fe^{3+}$ ion replacement by $Nd^{3+}$ on the crystal structure…

Ferrite nanocrystals are interesting material due to their rich physical properties. Here we add nonmagnetic dopants Zn and Cu to nickel ferrite nanocrystals, Ni1-xMxFe2O4 (0<=x<=1, M{\in}{Cu, Zn}), and characterize how relevant properties…

Materials Science · Physics 2012-03-20 F. Shahbaz Tehrani , V. Daadmehr , A. T. Rezakhani , R. Hosseini Akbarnejad , S. Gholipour

While doping is widely used for tuning physical properties of perovskites in experiments, it remains a challenge to exactly know how doping achieves the desired effects. Here, we propose an empirical and computationally tractable model to…

Materials Science · Physics 2019-01-30 J. Liu , L. Jin , Z. Jiang , L. Liu , L. Himanen , J. Wei , N. Zhang , D. Wang , C. -L. Jia

Polymer assisted spherical FeNi nanoparticles were prepared via wet chemical method using hydrazine as a reducing agent and polymers (PVP and PEG) as reducing and stabilizing agent. Structural studies performed using XRD and TEM shows…

Materials Science · Physics 2012-12-17 S. K. Karna , S. R. Mishra , E. Gunapala , I. Dubenko , V. Malagareddy , G. K. Marasinghe , N. Ali

Monodispersed strontium titanate nanoparticles were prepared and studied in detail. It is found that ~10 nm as-prepared stoichiometric nanoparticles are in a polar structural state (with possibly ferroelectric properties) over a broad…

Dopants of transition metal ions in II-VI semiconductors exhibit native 2+ valency. Despite this, 3+ or mixed 3+/2+ valency of iron ions in ZnO was reported previously. Several contradictory mechanisms have been put forward for explanation…

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