A simple route of morphology control and structural and optical properties of ZnO grown by metal-organic chemical vapour deposition

Employing the metal-organic chemical vapour deposition (MOCVD) technique, we prepare ZnO samples with different morphologies from the film to nanorods through conveniently changing the bubbled diethylzinc flux (BDF) and the carrier gas flux of oxygen (OCGF). The scanning electron microscope images indicate that small BDF and OCGF induce two-dimensional growth while the large ones avail quasi-one-dimensional growth. X-ray diffraction (XRD) and Raman scattering analyses show that all of the morphology-dependent ZnO samples are of high crystal quality with a c-axis orientation. From the precise shifts of the 2 theta. locations of ZnO (002) face in the XRD patterns and the E-2(high) locations in the Raman spectra, we deduce that the compressive stress forms in the ZnO samples and is strengthened with the increasing BDF and OCGF. Photoluminescence spectroscopy results show all the samples have a sharp ultraviolet luminescent band without any defects-related emission. Upon the experiments a possible growth mechanism is proposed.

Multiple valley couplings in nanometer Si metal-oxide-semiconductor field-effect transistors

We investigate the couplings between different energy band valleys in a metal-oxide-semiconductor field-effect transistor (MOSFET) device using self-consistent calculations of million-atom Schrodinger-Poisson equations. Atomistic empirical pseudopotentials are used to describe the device Hamiltonian and the underlying bulk band structure. The MOSFET device is under nonequilibrium condition with a source-drain bias up to 2 V and a gate potential close to the threshold potential. We find that all the intervalley couplings are small, with the coupling constants less than 3 meV. As a result, the system eigenstates derived from different bulk valleys can be calculated separately. This will significantly reduce the simulation time because the diagonalization of the Hamiltonian matrix scales as the third power of the total number of basis functions. (C) 2008 American Institute of Physics.

First-principles study of transition metal impurities in Si

By using ab initio electronic structure calculations within density functional theory, we study the structural, electronic, and magnetic properties of Si doped with a transition metal impurity. We consider the transition metals of the 3d series V, Cr, Mn, Fe, Co, and Ni. To get insight into the level filling mechanism and the magnetization saturation, we first investigate the transition metal-Si alloys in the zinc-blende structure. Next, we investigate the doping of bulk Si with a transition metal atom, in which it occupies the substitutional site, the interstitial site with tetrahedral symmetry, and the interstitial site with hexagonal symmetry. It is found that all of these transition metal impurities prefer an interstitial position in Si. Furthermore, we show that it is possible to interpret the electronic and magnetic properties by using a simple level filling picture and a comparison is made to Ge doped with the same transition metal atoms. In order to get insight into the effect of a strained environment, we calculate the formation energy as a function of an applied homogeneous pressure and we show that an applied pressure can stabilize the substitutional position of transition metal impurities in Si. Finally, the energies of the ferromagnetic states are compared to those of the antiferromagnetic states. It is shown that the interstitial site of the Mn dopant helps us to stabilize the nearest neighbor substitutional site to realize the ferromagnetic state. For doping of Si with Cr, a ferrimagnetic behavior is predicted.

The effect of growth temperature on structural quality of GaN/AlN quantum wells by metal-organic chemical vapour deposition

The effect of the growth temperature on the surface and interface quality for the GaN/AlN multiquantum well (MQW) layer grown by metal-organic vapour chemical deposition is investigated. The obtained GaN/AlN MQW structure is almost coherent to the underlying AlGaN layer at improved growth conditions. With a relatively low growth temperature, the GaN/AlN MQW growth rate increases, the surface roughness reduces considerably and no macro steps are observed, resulting in a better periodicity of MQW.

Analytical model of spin filtering effect and its experimental verification in a forward-biased iron-metal-Al2O3-n-type GaAs tunneling structure under optical spin orientation

An analytical model for the spin filtering transport in a ferromagnetic-metal - Al2O3 - n-type semiconductor tunneling structure has been developed, and demonstrated that the ratio of the helicity-modulated photo-response to the chopped one is proportional to the sum of the relative asymmetry in conductance of two opposite spin-polarized tunneling channels and the MCD effect of the ferromagnetic metal film. The performed measurement in an iron-metal/Al2O3/n-type GaAs tunneling structure under the optical spin orientation has verified that all the aspects of the experimental results are very well in accordance with our model in the regime of the spin filtering. After the MCD effect of the iron film is calibrated by an independent measurement, the physical quantity of Delta G(t)/G(t) (Delta G(t) = G(t)(up arrow) - G(t)(down arrow) is the difference of the conductance between two opposite spin tunneling channels, G(t) =( G(t)(up arrow) + G(t)(down arrow))/2 the averaged tunneling conductance), which concerns us most, can be determined quantitatively with a high sensitivity in the framework of our analytical model. Copyright (c) EPLA, 2008.

First-principles study of the electronic structures and magnetic properties of 3d transition metal-doped anatase TiO2

We study the electronic structures and magnetic properties of the anatase TiO2 doped with 3d transition metals (V, Cr, Mn, Fe, Co, Ni), using first-principles total energy calculations based on density functional theory (DFT). Using a molecular-orbital bonding model, the electronic structures of the doped anatase TiO2 are well understood. A band coupling model based on d-d level repulsions between the dopant ions is proposed to understand the chemical trend of the magnetic ordering. Ferromagnetism is found to be stabilized in the V-, Cr-, and Co-doped samples if there are no other carrier native defects or dopants. The ferromagnetism in the Cr- and Co-doped samples may be weakened by the donor defects. In the Mn-, and Fe-doped samples, the ferromagnetism can be enhanced by the acceptor and donor defects, respectively.

Effects of disk rotation rate on the growth of ZnO films by low-pressure metal-organic chemical vapor deposition

ZnO films were grown at low pressure in a vertical metal-organic vapor deposition (MOCVD) reactor with a rotating disk. The structural and morphological properties of the ZnO films grown at different disk rotation rate (DRR) were investigated. The growth rate increases with the increase of DRR. The ZnO film grown at the DRR of 450 revolutions per minute (rpm) has the lowest X-ray rocking curve full width at half maximum and shows the best crystalline quality and morphology. In addition, the crystalline quality and morphology are improved as the DRR increased but both are degraded when the DRR is higher than 450 rpm. These results can help improve in understanding the rotation effects on the ZnO films grown by MOCVD. (C) 2007 Elsevier B.V. All rights reserved.

Well-Aligned Zn-Doped InN Nanorods Grown by Metal-Organic Chemical Vapor Deposition and the Dopant Distribution

We report the synthesis and characterization of Zn-doped InN nanorods by metal-organic chemical vapor deposition. Electron microscopy images show that the InN nanorods are single-crystalline structures and vertically well-aligned. Energy-dispersive X-ray spectroscopy analyses suggest that Zn ions are distributed nonhomogenously in InN nanorods. Simulations based on diffusion model show that the doping concentration along the radial direction of InN nanorod is bowl-like from the exterior to the interior, the doping concentration decreases, and Such dopant distribution result in a bimodal EDXS spectrum of Zn across the nanorod. The study of the mechanism of doping effect is useful for the design of InN-based nanometer devices. Also, high-quality Zn-doped InN nanorods will be very attractive as building blocks for nano-optoelectronic devices.'

Role of interface dipole in metal gate/high-k effective work function modulation by aluminum incorporation

The interface dipole and its role in the effective work function (EWF) modulation by Al incorporation are investigated. Our study shows that the interface dipole located at the high-k/SiO2 interface causes an electrostatic potential difference across the metal/high-k interface, which significantly shifts the band alignment between the metal and high-k, consequently modulating the EWF. The electrochemical potential equalization and electrostatic potential methods are used to evaluate the interface dipole and its contribution. The calculated EWF modulation agrees with experimental data and can provide insight to the control of EWF in future pMOS technology.

Electrically Pumped Room-Temperature Pulsed InGaAsP-Si Hybrid Lasers Based on Metal Bonding

A pulsed InGaAsP-Si hybrid laser is fabricated using metal bonding. A novel structure in which the optical coupling and metal bonding areas are transversely separated is employed to integrate the silicon waveguide with an InGaAsP multi-quantum well distributed feedback structure. When electrically pumped at room temperature, the laser operates with a threshold current density of 2.9 kA/cm(2) and a slope efficiency of 0.02 W/A. The 1542 nm laser output exits mainly from the Si waveguide.

Synthesis and characterization of well-aligned Zn1-xMgxO nanorods and film by metal organic chemical vapor deposition

Well-aligned Zn1-xMgxO nanorods and film with Mg-content x from 0 to 0.051 have been successfully synthesized by metal organic chemical vapor deposition (MOCVD) without any catalysts. The characterization results showed that the diameters and lengths of the nanorods were in the range of 20-80 nm and 330-360 nm, which possessed wurtzite structure with a c-axis growth direction. As the increase of Mg precursor flows into the growth chamber, the morphology of Zn1-xMgxO evolves from nanorods to a film with scale-like surface and the height of the nanorods and the film was almost identical, it is suggested that the growth rate along the c-axis was hardly changed while the growth of six equivalent facets of the type {1 0 (1) over bar 0} of the Zn1-xMgxO has been improved. Photoluminescence and Raman spectra show that the products have a good crystal quality with few oxygen vacancies. With the Mg incorporation, multiple-phonon scattering become weak and broad, and the intensities of all observed vibrational modes decrease. And the ultraviolet near-band-edge emission shows a clear blueshift (x=0.051, as much as 90 meV) and slightly broadening compared with that of pure ZnO nanorods. (C) 2008 Elsevier B.V. All rights reserved.

Strain status in ZnO film on sapphire substrate with a GaN buffer layer grown by metal-source vapor phase epitaxy

ZnO film of 8 mu m thickness was grown on a sapphire (0 0 1) substrate with a GaN buffer layer by a novel growth technique called metal-source vapor phase epitaxy (MVPE). The surface of ZnO film measured by scanning electron microscope (SEM) is smooth and shows many regular hexagonal features. The full width at half maximum (FWHM) of ZnO(0 0 2) and (1 0 2) omega-scan rocking curves are 119 and 202 arcsec, corresponding a high crystal quality. The status of the strain in ZnO thick film was particularly analyzed by X-ray diffraction (XRD) omega-20 scanning. The results show that the strain in ZnO film is compressive, which is also supported by Raman scattering spectroscopy. The compressive strain can solve the cracking problem in the quick growth of ZnO thick film. (c) 2008 Elsevier Ltd. All rights reserved.

Mode Analysis for Equilateral-Triangle-Resonator Microlasers with Metal Confinement Layers

Mode characteristics are analyzed for electrically injected equilateral-triangle-resonator (ETR) semiconductor microlasers, which are laterally confined by insulating barrier SiO2 and electrode metals Ti-Au. For the ETR without metal layers, the totally confined mode field patterns are derived based on the reflection phase shifts, and the Q-factors are calculated from the far-field emission of the analytical near field distribution, which are agreement very well with the numerical results of the finite-difference time-domain (FDTD) simulation. The polarization dependence reflections for light rays incident on semiconductor-SiO2 -Ti-Au multi-layer structures are accounted in considering the confinement of TE and TM modes in the ETR with the metal layers. The reflectivity will greatly reduce with a Ti layer between SiO2 and Au for light rays with incident angle less than 30 especially for the TE mode, even the thickness of the Ti layer is only 10 nm. If the ETR is laterally confined by SiO2-Au layers without the Ti layer, the Fabry-Perot type modes with an incident angle of zero on one side of the ETR can also have high Q-factor. The FDTD simulation for the ETR confined by metal layers verifies the above analysis based on multi-layer reflections. The output spectra with mode intervals of whispering-gallery modes and Fabry-Perot type modes are observed from different ETR lasers with side length of 10 m, respectively.

Quantum mechanical simulation of nanosized metal-oxide-semiconductor field-effect transistor using empirical pseudopotentials: A comparison for charge density occupation methods

The atomistic pseudopotential quantum mechanical calculations are used to study the transport in million atom nanosized metal-oxide-semiconductor field-effect transistors. In the charge self-consistent calculation, the quantum mechanical eigenstates of closed systems instead of scattering states of open systems are calculated. The question of how to use these eigenstates to simulate a nonequilibrium system, and how to calculate the electric currents, is addressed. Two methods to occupy the electron eigenstates to yield the charge density in a nonequilibrium condition are tested and compared. One is a partition method and another is a quasi-Fermi level method. Two methods are also used to evaluate the current: one uses the ballistic and tunneling current approximation, another uses the drift-diffusion method. (C) 2009 American Institute of Physics. [doi:10.1063/1.3248262]

Phase-separation suppression in GaN-rich side of GaNP alloys grown by metal-organic chemical vapor deposition

The GaN-rich side of GaNP ternary alloys has been successfully synthesized by light-radiation heating and low-pressure metal-organic chemical vapor deposition. X-ray diffraction (XRD) rocking curves show that the ( 0002) peak of GaNP shifts to a smaller angle with increasing P content. From the GaNP photoluminescence (PL) spectra, the red shifts from the band-edge emission of GaN are determined to be 73, 78 and 100 meV, respectively, in the GaNP alloys with the P contents of 1.5%, 5.5% and 7.5%. No PL peak or XRD peak related to GaP is observed, indicating that phase separation induced by the short-range distribution of GaP-rich regions in the GaNP layer has been effectively suppressed. The phase-separation suppression in the GaNP layer is associated with the high growth rate and the quick cooling rate under the given growth conditions, which can efficiently restrain the accumulation of P atoms in the GaNP layer.