Magnetic coupling properties of mn-doped ZnO nanowires: First-principles calculations

Based on the density functional theory, we study the magnetic coupling properties of Mn-doped ZnO nanowires. For the nanowires with passivated surfaces, the antiferromagnetic state is found and the Mn atoms have a clustering tendency. When the distance between two Mn atoms is large, the system energetically favors the paramagnetic or spin-glass state. For the nanowires with unpassivated surfaces, the ferromagnetic (FM) coupling states appear between the two nearest Mn atoms, and the zinc vacancies can further stabilize the FM states between them. The electrons with enough concentration possibly mediate the FM coupling due to the negative exchange splitting of conduction band minimum induced by the s-d coupling, which could be useful in nanomaterial design for spintronics. (C) 2008 American Institute of Physics.

Highly anisotropic and electric field tunable Zeeman splittings in Mn-doped CdS nanowires

The electronic structure, Zeeman splitting, and g factor of Mn-doped CdS nanowires are studied using the k center dot p method and the mean field model. It is found that the Zeeman splittings of the hole ground states can be highly anisotropic, and so can their g factors. The hole ground states vary a lot with the radius. For thin wire, g(z) (g factor when B is along the z direction or the wire direction) is a little smaller than g(x). For thick wire, g(z) is mcuh larger than g(x) at small magnetic field, and the anisotropic factor g(z)/g(x) decreases as B increases. A small transverse electric field can change the Zeeman splitting dramatically, so tune the g(x) from nearly 0 to 70, in thick wire. The anisotropic factor decreases rapidly as the electric field increases. On the other hand, the Zeeman splittings of the electron ground states are always isotropic.

Hole-mediated electric field tunable high Curie temperature in Mn-doped wurtzite ZnO nanowires

The hole-mediated Curie temperature in Mn-doped wurtzite ZnO nanowires is investigated using the k center dot p method and mean field model. The Curie temperature T-C as a function of the hole density has many peaks for small Mn concentration (x(eff)) due to the density of states of one-dimensional quantum wires. The peaks of T-C are merged by the carriers' thermal distribution when x(eff) is large. High Curie temperature T-C > 400 K is found in (Zn,Mn)O nanowires. A transverse electric field changes the Curie temperature a lot. (Zn,Mn)O nanowires can be tuned from ferromagnetic to paramagnetic by a transverse electric field at room temperature. (c) 2007 American Institute of Physics.

Narrowing of band gap and low-temperature spin glass behavior of FeNi co-doped ZnO nanowires

This letter reports on the Raman, optical and magnetic properties of FeNi co-doped ZnO nanowires prepared via a soft chemical solution method. The microstructural investigations show that the NiFe co-dopants are substituted into wurtzite ZnO nanostructure without forming any secondary phase. The co-doped nanowires show a remarkable reduction of 34 nm (267.9 meV) in the optical band gap, while suppression in the deep-level defect transition in visible luminescence. Furthermore, these nanowires exhibit ferromagnetism and an interesting low-temperature spin glass behavior, which may arise due to the presence of disorder and strong interactions of frustrated spin moments of Ni and Fe co-dopants on the ZnO lattice sites. Copyright (C) EPLA, 2009

Effect of silver growth temperature on the contacts between Ag and ZnO thin films

Highly c-axis oriented ZnO thin films were deposited on Si substrates by the pulsed laser deposition (PLD) method. At different growth temperatures, 200 nm silver films as the contact metal were deposited on the ZnO thin films. The growth temperatures have great influence on the crystal quality of Ag films. Current-voltage characteristics were measured at room temperature. The Schottky contacts between Ag and ZnO thin films were successfully obtained when silver electrodes were deposited at 150A degrees C and 200A degrees C. Ohmic contacts were formed while the growth temperatures were lower than 150A degrees C or higher than 200A degrees C. After analysis, the forming of Ag/ZnO Schottky contacts was shown to be dependent on the appearance of the p-type inversion layer at the interface between Ag and ZnO layers.

First-Principles Study of Magnetic Properties of 3d Transition Metals Doped in ZnO Nanowires

The defect formation energies of transition metals (Cr, Fe, and Ni) doped in the pseudo-H passivated ZnO nanowires and bulk are systematically investigated using first-principles methods. The general chemical trends of the nanowires are similar to those of the bulk. We also show that the formation energy increases as the diameter of the nanowire decreases, indicating that the doping of magnetic ions in the ZnO nanowire becomes more difficult with decreasing diameter. We also systematically calculate the ferromagnetic properties of transition metals doped in the ZnO nanowire and bulk, and find that Cr ions of the nanowire favor ferromagnetic state, which is consistent with the experimental results. We also find that the ferromagnetic coupling state of Cr is more stable in the nanowire than in the bulk, which may lead to a higher T (c) useful for the nano-materials design of spintronics.

Strain relaxation and band-gap tunability in ternary InxGa1-xN nanowires

The alloy formation enthalpy and band structure of InGaN nanowires were studied by a combined approach of the valence-force field model, Monte Carlo simulation, and density-functional theory (DFT). For both random and ground-state structures of the coherent InGaN alloy, the nanowire configuration was found to be more favorable for the strain relaxation than the bulk alloy. We proposed an analytical formula for computing the band gap of any InGaN nanowires based on the results from the screened exchange hybrid DFT calculations, which in turn reveals a better band-gap tunability in ternary InGaN nanowires than the bulk alloy.

Quantum Confinement and Electronic Properties of Rutile TiO2 Nanowires

The quantum confinement effect, electronic properties, and optical properties of TiO2 nanowires in rutile structure are investigated via first-principles calculations. We calculate the size- and shape-dependent band gap of the nanowires and fit the results with the function E-g = E-g(bulk) + beta/d(alpha). We find that the quantum confinement effect becomes significant for d < 25 angstrom, and a notable anisotropy exists that arises from the anisotropy of the effective masses. We also evaluate the imaginary part of the frequency-dependent dielectric function [epsilon(2)(omega)] within the electric-dipole approximation, for both the polarization parallel [epsilon(parallel to)(2)(omega)] and the perpendicular [epsilon 1/2(omega)] to the axial (c) direction. The band structure of the nanowires is calculated, with which the fine structure of epsilon(parallel to)(2)(omega) has been analyzed.

Optical properties of boron-doped Si nanowires

Raman scattering and photoluminescence (PL) of boron-doped silicon nanowires have been investigated. Raman spectra showed a band at 480 cm(-1), indicating that the crystallinity of the nanowires was suppressed by boron doping. PL taken from B-doped SiNWS at room temperature exhibited three distinct emission peaks at 1.34, 1.42. and 1.47 eV and the PL intensity was much stronger than that of undoped SiNWS. The increased PL intensity should be very profitable for nano-optoelectronics. (C) 2004 Elsevier B.V. All rights reserved.

Hexagonal selenium nanowires synthesized via vapor-phase growth

Hexagonal Se nanowires were synthesized using a simple vapor-phase growth with the assistance of the silicon powder as a source material, which turned out to be very important in the growth of the Se nanowires. The morphology, microstructure, and chemical compositions of the nanowires were characterized using various means (XRD, SEM, TEM, XPS, and Raman spectroscopy). The possible growth mechanism of the Se nanowires was explained. The as-grown Se nanowires may find wide applications in biology and optoelectronics.

Luminescence emission originating from nitrogen doping of beta-Ga2O3 nanowires

Nitrogen-doped beta-Ga2O3 nanowires (GaO NWs) were prepared by annealing the as-grown nanowires in an ammonia atmosphere. The optical properties of the nitrogen-doped GaO NWs were studied by measurements of the photoluminescence and phosphorescence decay at the temperature range between 10 and 300 K. The experimental results revealed that nitrogen doping in GaO NWs induced a novel intensive red-light emission around 1.67 eV, with a characteristic decay time around 136 mus at 77 K, much shorter than that of the blue emission (a decay time of 457 mus). The time decay and temperature-dependent luminescence spectra were calculated theoretically based on a donor-acceptor pair model, which is in excellent agreement with the experimental data. This result suggests that the observed novel red-light emission originates from the recombination of an electron trapped on a donor due to oxygen vacancies and a hole trapped on an acceptor due to nitrogen doping.

Synthesis and optical properties of europium-doped ZnS: Long-lasting phosphorescence from aligned nanowires

Quasi-aligned Eu2+-doped wurtzite ZnS nanowires on Au-coated Si wafers have been successfully synthesized by a vapor deposition method under a weakly reducing atmosphere. Compared with the undoped counterpart, incorporation of the dopant gives a modulated composition and crystal structure, which leads to a preferred growth of the nanowires along the [0110] direction and a high density of defects in the nanowire hosts. The ion doping causes intense fluorescence and persistent phosphorescence in ZnS nanowires. The dopant Eu2+ ions form an isoelectronic acceptor level and yield a high density of bound excitions, which contribute to the appearance of the radiative recombination emission of the bound excitons and resonant Raman scattering at higher pumping intensity. Co-dopant Cl- ions can serve not only as donors, producing a donor-acceptor pair transition with the Eu2+ acceptor level, but can also form trap levels together with other defects, capture the photoionization electrons of Eu2+, and yield long-lasting (about 4 min), green phosphorescence. With decreasing synthesis time, the existence of more surface states in the nanowires forms a higher density of trap centers and changes the crystal-field strength around Eu2+. As a result, not only have an enhanced Eu2+ -4f(6)5d(1)-4f(7) intra-ion transition and a prolonged afterglow time been more effectively observed (by decreasing the nanowires' diameters), but also the Eu2+ related emissions are shifted to shorter wavelengths.

Synthesis of GaN nanowires and nano-pyramids in a two-hot-boat chemical vapor deposition system via an in-doping technique

A two-hot-boat chemical vapor deposition system was modified from a thermal evaporation equipment. This system has the advantage of high vacuum, rapid heating rate and temperature separately controlled boats for the source and samples. These are in favor of synthesizing compound semiconducting nano-materials. By the system, we have synthesized high-quality wurtzite single crystal GaN nanowires and nanotip triangle pyramids via an in-situ doping indium surfactant technique on Si and 3C-SiC epilayer/Si substrates. The products were analyzed by x-ray diffraction, field emission scanning electron microscopy, highresolution transmission electron microscopy, energy- dispersive x-ray spectroscopy, and photoluminescence measurements. The GaN nanotip triangle pyramids, synthesized with this novel method, have potential application in electronic/ photonic devices for field-emission and laser.

Artificial nanograting woven by self-assembled nanowires

We report on a new simple route to realize a high resolution nanograting. By adopting an InAlGaAs matrix and strain-compensated technique, we have proved that a uniform self-assembled InAs nanowire array can be fabricated by molecular beam epitaxy (MBE). A nanograting woven by self-assembled semiconductor nanowires shows a conspicuous diffraction feature. The good agreement between the theoretical and experimental values of diffraction peak positions indicates that a uniform nanowire array is a promising nanograting. This simple one-step MBE growth method will open exciting opportunities for the field of clever optics design.

Raman scattering from GaP nanowires

A complete Raman study of GaP nanowires is presented. By comparison with the Raman spectra of GaP bulk material, microcrystals and nanoparticles, we give evidence that the Raman spectrum is affected by the one-dimensional shape of the nanowires. The Raman spectrum is sensitive to the polarization of the laser light. A specific shape of the overtones located between 600 and 800 cm(-1) is actually a signature of the nanowires. Some phonon confinement and thermal behavior is also observed for nanowires.