The formation and electronic structures of 3d transition-metal atoms doped in silicon nanowires

Using first-principles methods, we systematically study the mechanism of defect formation and electronic structures for 3d transition-metal impurities (V, Cr, Mn, Fe, and Co) doped in silicon nanowires. We find that the formation energies of 3d transition-metal impurities with electrons or holes at the defect levels always increase as the diameters of silicon nanowires decrease, which suggests that self-purification, i.e., the difficulty of doping in silicon nanowires, should be an intrinsic effect. The calculated results show that the defect formation energies of Mn and Fe impurities are lower than those of V, Cr, and Co impurities in silicon nanowires. It indicates that Mn and Fe can easily occupy substitutional site in the interior of silicon nanowires. Moreover, they have larger localized moments, which means that they are good candidates for Si-based dilute magnetic semiconductor nanowires. The doping of Mn and Fe atom in silicon nanowires introduces a pair of energy levels with t(2) symmetry. One of which is dominated by 3d electrons of Mn or Fe, and the other by neighboring dangling bonds of Si vacancies. In addition, a set of nonbonding states localized on the transition-metal atom with e symmetry is also introduced. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.3000445]

n-type Ge-SiGe quantum cascade structure utilizing quantum wells for electrons in the L and Gamma valleys

In this letter, we propose an n-type vertical transition bound-to-continuum Ge-SiGe quantum cascade structure utilizing electronic quantum wells in the L and F valleys of the Ge layers. The optical transition levels are located in the quantum wells in the L valley. Under a bias of 80 kV/cm, the carriers in the lower level are extracted by miniband transport and L - Gamma tunneling into the subband in the Gamma well of the next period. And then the electrons are injected into the upper level by ultrafast intervalley scattering, which not only effectively increases the tunneling rate and suppresses the thermal backfilling of electrons, but also enhances the injection efficiency of the upper level. The performance of the laser is discussed.

Electronic structure and optical gain of wurtzite ZnO nanowires

The electronic structure and optical gain of wurtzite ZnO nanowires are investigated in the framework of effective-mass envelope-function theory. We found that as the elliptical aspect ratio e increases to be larger than a critical value, the hole ground states may change from optically dark to optically bright. The optical gain of ZnO nanowires increases as the hole density increases. For elliptical wire with large e, the y-polarized mode gain can be several thousand cm(-1), while the x-poiarized mode gain may be 26 times smaller than the former, so they can be used as ultraviolet linearly polarized lasers. (C) 2008 American Institute of Physics.

The influence of low-temperature Ge seed layer on growth of high-quality Ge epilayer on Si(100) by ultrahigh vacuum chemical vapor deposition

High-quality Ge epilayer on Si(1 0 0) substrate with an inserted low-temperature Ge seed layer and a thin Si0.77Ge0.23 layer was grown by ultrahigh vacuum chemical vapor deposition. The epitaxial Ge layer with surface root-mean-square roughness of 0.7 nm and threading dislocation density of 5 x 10(5) cm(-2) was obtained. The influence of low temperature Ge seed layer on the quality of Ge epilayer was investigated. We demonstrated that the relatively higher temperature (350 degrees C) for the growth of Ge seed layer significantly improved the crystal quality and the Hall hole mobility of the Ge epilayer. (C) 2008 Elsevier B.V. All rights reserved.

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.

Evolution of Ge and SiGe quantum dots under excimer laser annealing

We present different relaxation mechanisms of Ge and SiGe quantum dots under excimer laser annealing. Investigation of the coarsening and relaxation of the dots shows that the strain in Ge dots on Ge films is relaxed by dislocation since there is no interface between the Ge dots and the Ge layer, while the SiGe dots on Si0.77Ge0.23 film relax by lattice distortion to coherent clots, which results from the obvious interface between the SiGe clots and the Si0.77Ge0.23 film. The results are suggested and sustained by Vanderbilt and Wickham's theory, and also demonstrate that no bulk diffusion oGeurs during the excimer laser annealing.

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

Electroluminescence from Ge on Si substrate at room temperature

A Ge/Si heterojunction light emitting diode with a p(+)-Ge/i-Ge/N+-Si structure was fabricated using the ultrahigh vacuum chemical vapor deposition technology on N+-Si substrate. The device had a good I-V rectifying behavior. Under forward bias voltage ranging from 1.1 to 2.5 V, electroluminescence around 1565 nm was observed at room temperature. The mechanism of the light emission is discussed by the radiative lifetime and the scattering rate. The results indicate that germanium is a potential candidate for silicon-based light source material. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3216577]

Zero biased Ge-on-Si photodetector with a bandwidth of 4.72 GHz at 1550 nm

High quality Ge was epitaxially grown on Si using ultrahigh vacuum/chemical vapor deposition (UHV/CVD). This paper demonstrates efficient germanium-on-silicon p-i-n photodetectors with 0.8 mu m Ge, with responsivities as high as 0.38 and 0.21 A/W at 1.31 and 1.55 mu m, respectively. The dark current density is 0.37 mA/cm(2) and 29.4 mA/cm(2) at 0 V and a reverse bias of 0.5 V. The detector with a diameter of 30 mu m, a 3 dB-bandwidth of 4.72 GHz at an incident wavelength of 1550 nm and zero external bias has been measured. At a reverse bias of 3 V, the bandwidth is 6.28 GHz.

Room temperature photoluminescence of tensile-strained Ge/Si0.13Ge0.87 quantum wells grown on silicon-based germanium virtual substrate

We report a room temperature study of the direct band gap photoluminescence of tensile-strained Ge/Si0.13Ge0.87 multiple quantum wells grown on Si-based germanium virtual substrates by ultrahigh vacuum chemical vapor deposition. Blueshifts of the luminescence peak energy from the Ge quantum wells in comparison with the Ge virtual substrate are in good agreement with the theoretical prediction when we attribute the luminescence from the quantum well to the c Gamma 1-HH1 direct band transition. The reduction in direct band gap in the tensile strained Ge epilayer and the quantum confinement effect in the Ge/Si0.13Ge0.87 quantum wells are directly demonstrated by room temperature photoluminescence.

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.