Dopant compensation in HfO2 and other high K oxides

The theory of doping limits in semiconductors and insulators is applied to the case of wide gap oxides, crystalline, or amorphous, and used to explain that impurities do not in general give rise to gap states or a doping response. Instead, the system tends to form defect complexes or undergo symmetry-lowering reconstructions to expel gap states out of the band gap. The model is applied to impurities, such as trivalent metals, carbon, N, P, and B, in HfO2, the main gate dielectric used in field effect transistors. © 2014 AIP Publishing LLC.

Quantum Confinement Effects and Electronic Properties of SnO2 Quantum Wires and Dots

On the basis of the density functional theory (DFT) within local density approximations (LDA) approach, we calculate the band gaps for different size SnO2 quantum wire (QWs) and quantum dots (QDs). A model is proposed to passivate the surface atoms of SnO2 QWs and QDs. We find that the band gap increases between QWs and bulk evolve as Delta E-g(wire) = 1.74/d(1.20) as the effective diameter d decreases, while being Delta E-g(dot) = 2.84/d(1.26) for the QDs. Though the similar to d(1.2) scale is significantly different from similar to d(2) of the effective mass result, the ratio of band gap increases between SnO2 QWs and QDs is 0.609, very close to the effective mass prediction. We also confirm, although the LDS calculations underestimate the band gap, that they give the trend of band gap shift as much as that obtained by the hybrid functional (PBE0) with a rational mixing of 25% Fock exchange and 75% of the conventional Perdew-Burke-Ernzerhof (PBE) exchange functional for the SnO2 QWs and QDs. The relative deviation of the LDA calculated band gap difference Lambda E-g compared with the corresponding PBE0 results is only within 5%. Additionally, it is found the states of valence band maximum (VBM) and conduction band minimum (CBM) of SnO2 QWs or QDs have a mostly p- and s-like envelope function symmetry, respectively, from both LDA and PBE0 calculations.

First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms

First-principles calculations; ZnO nanofilms; Electronic properties; Quantum effects； NANOBELTS; NANORINGS; WURTZITE; ENERGY Abstract: Using first-principles density-functional calculations, we have studied the structural and electronic properties Of Ultrathin ZnO {0001} nanofilms. The structural parameters, the charge densities, band structures and density of states have been investigated. The results show that there are remarkable charge transfers from Zn to O atoms in the ZOO nanofilms. All the ZOO nanofilms exhibit direct wide band gaps compared with bulk counterpart, and the gap decreases with increased thickness of the nanofilms. The decreased band gap is associated with the weaker ionic bonding within layers and the less localization of electrons in thicker films. A staircase-like density of states occurs at the bottom of conduction band, indicating the two-dimensional quantum effects in ZnO nanofilms.

Ultrafast photo-induced turning of magnetization and its relaxation dynamics in GaMnAs

We report that, by linearly polarized pumping of different wavelengths, Kerr transients appear at zero magnetic field only in the case when GaMnAs samples are initialized at 3 K by first applying a 0.8 Tesla field and then returning to zero field. We find that, instead of magnetization precession, the near-band gap excitation induces a coherent out-of-plane turning of magnetization, which shows very long relaxation dynamics with no precession. When photon energy increases, the peak value of the Kerr transient increases, but it decays rapidly to the original slow transient seen under the near-band-gap excitation.

The effect of an electric field on the nonlinear response of InAs/GaAs quantum dots

The refractive nonlinearities of InAs/GaAs quantum dots under a dc electric field at photon energies above its band gap energy have been studied using the reflection Z-scan technique. The effect of the dc electric field on the nonlinear response of InAs/GaAs quantum dots showed similar linear and quadratic electro-optic effects as in the linear response regime at low fields. This implies that the electro-optic effect in the nonlinear regime is analogous to the response in the linear regime for semiconductor quantum dots. Our experimental results show the potential for voltage tunability in InAs quantum dot-based nonlinear electro-optic devices.

Origins of magnetism in transition metal doped Cul

Cupric iodide is a p-type semiconductor and has a large band gap. Doping of Mn, Co, and Ni are found to make gamma-CuI ferromagnetic ground state, while Cr-doped and Fe-doped CuI systems are stabilized in antiferromagnetic configurations. The origins of the magnetic ordering are demonstrated successfully by the phenomenological band coupling model based on d-d level repulsions between the dopant ions. Furthermore, using a molecular-orbital bonding model, the electronic structures of the doped CuI are well understood. According to Heisenberg model, high-T-C may be expected for CuI:Mn and CuI:Ni if there are no native defects or other impurities.

Effects of GaN Capping on the Structural and the Optical Properties of InN Nanostructures Grown by Using MOCVD

InN nanostructures with and without GaN capping layers were grown by using metal-organic chemical vapor deposition. Morphological, structural, and optical properties were systematically studied by using atomic force microscopy, X-ray diffraction (XRD) and temperature-dependent photoluminescence (PL). XRD results show that an InGaN structure is formed for the sample with a GaN capping layer, which will reduce the quality and the IR PL emission of the InN. The lower emission peak at similar to 0.7 eV was theoretically fitted and assigned as the band edge emission of InN. Temperature-dependent PL shows a good quantum efficiency for the sample without a GaN capping layers; this corresponds to a lower density of dislocations and a small activation energy.

Theoretical design and performance of InxGa1-xN two-junction solar cells

The efficiencies of InxGa1-xN two-junction solar cells are calculated with various bandgap combinations of subcells under AM1.5 global, AM1.5 direct and AM0 spectra. The influence of top-cell thickness on efficiency has been studied and the performance of InxGa1-xN cells for the maximum light concentration of various spectra has been evaluated. Under one-sun irradiance, the optimum efficiency is 35.1% for the AM1.5 global spectrum, with a bandgap combination of top/bottom cells as 1.74 eV/1.15 eV. And the limiting efficiency is 40.9% for the highest light concentration of the AM1.5 global spectrum, with the top/bottom cell bandgap as 1.72 eV/1.12 eV.

Dislocation scattering in AlxGa1-xN/GaN heterostructures

The theoretical electron mobility limited by dislocation scattering of a two-dimensional electron gas confined near the interface of AlxGa1-xN/GaN heterostructures was calculated. Based on the model of treating dislocation as a charged line, an exponentially varied potential was adopted to calculate the mobility. The estimated mobility suggests that such a choice can simplify the calculation without introducing significant deviation from experimental data, and we obtained a good fitting between the calculated and experimental results. It was found that the measured mobility is dominated by interface roughness and dislocation scattering at low temperatures if dislocation density is relatively high (>10(9) cm(-2)), and accounts for the nearly flattening-out behavior with increasing temperature.

Monolithic integration of sampled grating DBR with electroabsorption modulator by combining selective-area-growth MOCVD and quantum-well intermixing

We present the monolithic integration of a sampled-grating distributed Bragg reflector (SC-DBR) laser with a quantum-well electroabsorption modulator (QW-EAM) by combining ultra-low-pressure (55 mbar) selective-area-growth (SAG) metal-organic chemical vapour deposition (MOCVD) and quantum-well intermixing (QWI) for the first time. The QW-EAM and the gain section can be grown simultaneously by using SAG MOCVD technology. Meanwhile, the QWI technology offers an abrupt band-gap change between two functional sections, which reduces internal absorption loss. The experimental results show that the threshold current I-th = 62 mA, and output power reaches 3.6 mW. The wavelength tuning range covers 30 nm, and all the corresponding side mode suppression ratios are over 30 dB. The extinction ratios at available wavelength channels can reach more than 14 dB with bias of -5 V.

Photoelectric characteristics of metal/InGaN/GaN heterojunction structure

A heterojunction structure photodetector was fabricated by evaporating a semitransparent Ni/Au metal film oil the InGaN/GaN structure. The photocurrent (PC) spectra show that both the Schottky junction (NiAu/InGaN) and the InGaN/GaN isotype heterojunction contribute to the PC signal which suggests that two junctions are connected in series and result in a broader spectral response of the device. Secondary electron, cathodoluminescence and electron-beam-induced current images measured from the same area of the edge surface clearly reveal the profile of the layer structure and distribution of the built-in electric field around the two junctions. A band diagram of the device is drawn based oil the consideration of the polarization effect at the InGaN/GaN interface. The analysis is consistent with the physical mechanism of a tandem structure of two junctions connected in series.

First-principles study on rutile TiO2 quantum dots

The electronic structure of rutile TiO2 quantum dots (QDs) are investigated via the first-principles band structure method. We first propose a model to passivate the rutile TiO2 surfaces for the local density approximation calculations. In this model pseudohydrogen atoms are used to passivate the surface dangling bonds, which remove the localized in-cap surface states in the TiO2 QDs. As the size of the QD decreases, the band gap evolves as E-g(dot) = E-g(bulk) + 73.70/d(1.93), where E-g(dot) and d are the band gap and diameter of the QD, and E-g(bulk) is the band gap of the bulk rutile TiO2. The valence band maximum and the conduction band minimum states of the QDs are distributed mostly in the interior of the QDs, and they well inherit the atomic characteristics of those states of the bulk rutile TiO2.

Investigation on the structural origin of n-type conductivity in InN films

This work presents a study of the correlation between the electrical properties and the structural defects in nominally undoped InN films. It is found that the density of edge-type threading dislocations (TDs) considerably affects the electron concentration and mobility in InN films. The Hall-effect measured electron concentration increases, while the Hall mobility decreases with the increase in the edge-type TD density. With the combination of secondary ion mass spectrometry and positron annihilation analysis, we suggest that donor-type point defects at the edge-type TD lines may serve as dominant donors in InN films and affect the carrier mobility.

Effect on nitrogen acceptor as Mg is alloyed into ZnO

Our Raman measurement indicates that the intensity of the peaks (510 and 645 cm(-1)) related to nitrogen concentration is enhanced in MgZnO compared with that in ZnO. Using first-principles band structure methods, we calculated the formation energy and transition energy level for nitrogen acceptor in ZnO and random MgxZn1-xO (with x=0.25) alloy. Our calculations show that the incorporation of nitrogen can be enhanced as Mg is alloyed into ZnO, which agrees with our experiments. The acceptor energy level deeper in the alloy ascribes to the downward shift of the valence-band maximum edge in the presence of magnesium. (c) 2008 American Institute of Physics.

Influence of different interlayers on growth mode and properties of InN by MOVPE

We grow InN epilayers on different interlayers by metal organic vapour phase epitaxy (MOVPE) method, and investigate the effect of interlayer on the properties and growth mode of InN films. Three InN samples were deposited on nitrided sapphire, low-temperature InN (LT-InN) and high-temperature GaN (HT-GaN), respectively. The InN layer grown directly on nitrided sapphire owns the narrowest x-ray diffraction rocking curve (XRC) width of 300 arcsec among the three samples, and demonstrates a two-dimensional (2D) step-flow-like lateral growth mode, which is much different from the three-dimensional (3D) pillar-like growth mode of LT-InN and HT-GaN buffered samples. It seems that mismatch tensile strain is helpful for the lateral epitaxy of InN film, whereas compressive strain promotes the vertical growth of InN films.