Enhanced electroluminescence intensity of InGaN/GaN multi-quantum-wells based on Mg-doped GaN annealed in O-2

InGaN/GaN multi-quantum-well blue (461 +/- 4 nm) light emitting diodes with higher electroluminescence intensity are obtained by postgrowth thermal annealing at 720 C in O-2-ambient. Based on our first-principle total-energy calculations, we conclude that besides dissociating the Mg-H complex by forming H2O, annealing in O-2 has another positive effect on the activation of acceptor Mg in GaN. Mg can be further activated by the formation of an impurity band above the valence band maximum of host GaN from the passivated Mg-Ga-O-N complex. Our calculated ionization energy for acceptor Mg in the passivated system is about 30 meV shallower than that in pure GaN, in good agreement with previous experimental measurement. Our model can explain that the enhanced electroluminescence intensity of InGaN/GaN MQWs based on Mg-doped p-type GaN is due to a decrease in the ionization energy of Mg acceptor with the presence of oxygen. (C) 2008 American Institute of Physics.

Spin states in semiconductor quantum dot with a single magnetic ion

We investigate theoretically CdTe quantum dots containing a single Mn2+ impurity, including the sp-d exchange interaction between carriers and the magnetic ion and the short-range exchange interaction between electron and hole. We find anticrossing behaviors in the energy spectrum of the electron-hole (e-h) pair that arise from the interplay between exchange interactions and the magnetic field. In addition to the s-d exchange interaction, we find that other mechanisms inducing the anticrossings become important in the strong heavy hole-light hole (hh-lh) mixing regime. The transition strengths between the states with spin projection of Mn2+ ion S-z not equal -5/2 (S-z = -5/2) decrease (increase) with increasing magnetic fields due to the alignment of the Mn2+ spin. The spin splitting of the e-h pair states depends sensitively on the external magnetic and electric field, which reveals useful information about the spin orientation and position of the magnetic ion. Meanwhile, the manipulation of the position of the magnetic ion offers us a way to control the spin splitting of the carriers. (C) 2008 Elsevier B.V. All rights reserved.

First-principle study of extrinsic defects in CuScO2 and CuYO2

Using first-principles methods, we studied the extrinsic defects doping in transparent conducting oxides CuMO2 (M=Sc, Y). We chose Be, Mg, Ca, Si, Ge, Sn as extrinsic defects to substitute for M and Cu atoms. By systematically calculating the impurity formation energy and transition energy level, we find that Be-Cu is the most prominent extrinsic donor and Ca-M is the prominent extrinsic acceptor. In addition, we find that Mg atom substituting for Sc is the most prominent extrinsic acceptor in CuSCO2. Our calculation results are expected to be a guide for preparing n-type and p-type materials through extrinsic doping in CuMO2 (M=SC, y). (C) 2008 Elsevier B.V. All rights reserved.

New observations on the pressure dependence of luminescence from Eu2+-doped MF2 (M = Ca, Sr, Ba) fluorides

The luminescence from Eu2+ ions in MF2 (M = Ca, Sr, Ba) fluorides has been investigated under the pressure range of 0-8 GPa. The emission band originating from the 4f(6)5d(1) -> 4f(7) transition of Eu2+ ions in CaF2 and SrF2 shows the red-shift as increasing pressure with pressure coefficients of -17 meV/GPa for CaF2 and -18 meV/GPa for SrF2. At atmospheric pressure, the emission spectrum of BaF2:Eu2+ comprises two peaks at 2.20 and 2.75 eV from the impurity trapped exciton (ITE) and the self-trapped exciton (STE), respectively. As the pressure is increased, both emission peaks shift to higher energies, and the shifting rate is slowed by the phase transition from the cubic to orthorhombic phase at 4 GPa. Due to the phase transition at 4-5 GPa pressure, the ITE emission disappears gradually, and the STE emission is gradually replaced by the 4f(6)5d(1) -> 4f(7) transition of Eu2+. Above 5 GPa, the pressure behavior of the 4f(6)5d(1) -> 4f(7) transition of EU2+ in BaF2: EU2+ is the same as the normal emission of Eu2+ in CaF2 and SrF2 phosphors.

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.

Electron transport properties of In0.53Ga0.47As/In0.52Al0.48As quantum wells with two occupied subbands

Magnetotransport properties of two-dimensional electron gas have been investigated for three In0.53Ga0.47As/In0.52Al0.48As quantum well samples having two occupied subbands with different well widths. When the intersubband scattering is considered, we have obtained the subband density, transport scattering time, quantum scattering time and intersubband scattering time, respectively, by analyzing the result of fast Fourier transform of the first derivative of Shubnikov-de Haas oscillations. It is found that the main scattering mechanism is due to small-angle scattering, such as ionized impurity scattering, for the first subband electrons.

Anisotropic spin transport in two-terminal mesoscopic rings: Rashba and Dresselhaus spin-orbit interactions

We theoretically investigate the spin transport in two-terminal mesoscopic rings in the presence of both the Rashba spin-orbit interaction (RSOI) and the Dresselhaus spin-orbit interaction (DSOI). We find that the interplay between the RSOI and DSOI breaks the original cylindric symmetry of the mesoscopic rings and consequently leads to the anisotropic spin transport, i.e., the conductance is sensitive to the positions of the incoming and outgoing leads. The anisotropic spin transport can survive even in the presence of disorder caused by impurity elastic scattering in a realistic system.

Intrinsic spin hall effect induced by quantum phase transition in HgCdTe quantum wells

The spin Hall effect can be induced by both extrinsic impurity scattering and intrinsic spin-orbit coupling in the electronic structure. The HgTe/CdTe quantum well has a quantum phase transition where the electronic structure changes from normal to inverted. We show that the intrinsic spin Hall effect of the conduction band vanishes on the normal side, while it is finite on the inverted side. By tuning the Cd content, the well width, or the bias electric field across the quantum well, the intrinsic spin Hall effect can be switched on or off and tuned into resonance under experimentally accessible conditions.

Enhancement of conductivity and transmittance of ZnO films by post hydrogen plasma treatment

We studied the effects of hydrogen plasma treatment on the electrical and optical properties of ZnO films deposited by radio frequency magnetron sputtering. It is found that the ZnO H film is highly transparent with the average transmittance of 92% in the visible range. Both carrier concentration and mobility are increased after hydrogen plasma treatment, correspondingly, the resistivity of the ZnO H films achieves the order of 10(-3) cm. We suggest that the incorporated hydrogen not only passivates most of the defects and/or acceptors present, but also introduces shallow donor states such as the V-O-H complex and the interstitial hydrogen H-i. Moreover, the annealing data indicate that H-i is unstable in ZnO, while the V-O-H complex remains stable on the whole at 400 degrees C, and the latter diffuses out when the annealing temperature increases to 500 degrees C. These results make ZnO H more attractive for future applications as transparent conducting electrodes.

First principle study of Mg, Si and Mn co-doped GaN

Calculations of electronic structures and optical properties of Mg (or Si) and Mn co-doped GaN were carried out by means of first-principle plane-wave pesudopotential (PWP) based on density functional theory - The spin polarized impurity bands of deep energy levels were found for both systems. They are half metallic and suitable for spin injectors. Compared with GaN Mn, GaN Mn-Mg exhibits a significant increase in T-C 1 while the 1.3 eV absorption peak in GaN Mn disappears due to addition of Mg. In addition, a strong absorption peak due to T-4(1) (F) -> T-4(2) (F) transition of Mn4+ were observed near 1.1 eV. Nevertheless, GaN Mn-Si failed to show increase of T-C, and the absorption peak was not observed at the low energy side.

Hillocks and hexagonal pits in a thick film grown by HVPE

A GaN film with a thickness of 250 mu m was grown on a GaN/sapphire template in a vertical hydride vapor phase epitaxy (HVPE) reactor. The full-width at half-maximum (FWHM) values of the film were 141 and 498 arcsec for the (0 0 2) and (1 0 2) reflections, respectively. A sharp band-edge emission with a FWHM of 20 meV at 50 K was observed, which corresponded to good crystalline quality of the film. Some almost circular-shaped hillocks located in the spiral growth center were found on the film surface with dimensions of 100 mu m, whose origin was related to screw dislocations and micropipes. Meanwhile, large hexagonal pits also appeared on the film surface, which had six triangular {1 0 (1) over bar 1} facets. The strong emission in the pits was dominated by an impurity-related emission at 377 nm, which could have been a high-concentration oxygen impurity. (c) 2008 Elsevier Ltd. All rights reserved.

Design of shallow acceptors in ZnO through compensated donor-acceptor complexes: A density functional calculation

The intrinsic large electronegativity of O 2p character of the valence-band maximum (VBM) of ZnO renders it extremely difficult to be doped p type. We show from density functional calculation that such VBM characteristic can be altered by compensated donor-acceptor pairs, thus improve the p-type dopability. By incorporating (Ti+C) or (Zr+C) into ZnO simultaneously, a fully occupied impurity band that has the C 2p character is created above the VBM of host ZnO. Subsequent doping by N in ZnO: (Ti+C) and ZnO: (Zr+C) lead to the acceptor ionization energies of 0.18 and 0.13 eV, respectively, which is about 200 meV lower than it is in pure ZnO.

Variational calculations of neutral bound excitons in GaAs quantum-well wires

The binding energy of an exciton bound to a neutral donor (D-0,X) in GaAs quantum-well wires is calculated variationally as a function of the wire width for different positions of the impurity inside the wire by using a two-parameter wavefunction. There is no artificial parameter added in our calculation. The results we have obtained show that the binding energies are closely correlated to the sizes of the wire, the impurity position, and also that their magnitudes are greater than those in the two-dimensional quantum wells compared. In addition, we also calculate the average interparticle distance as a function of the wire width. The results are discussed in detail.

Enhancement of the spectral width of high-power 1.5 mu m integrated superluminescent light source by quantum well intermixing process

A novel type of integrated InGaAsP superluminescent light source was fabricated based on the tilted ridge-waveguide structure with selective-area quantum well (QW) intermixing. The bandgap structure along the length of the device was modified by impurity free vacancy diffusion QW intermixing, The spectral width was broadened from the 16 nm of the normal devices to 37 nm of the QW intermixing enhanced devices at the same output power level. High superluminescent power (210 mW) was obtained under pulsed conditions with a spectral width of 37 nm.

Photoluminescence of Te isoelectronic centers in ZnS : Te under hydrostatic pressure

The photoluminescence of four epitaxial ZnS: Te samples with Te concentration from 0.5% to 3.1% was investigated at different temperature and ambient pressure. Two well-known emission bands related to the isolated Te-1 and Te-2 pair isoelectronic centers were observed for the samples with Te concentrations of 0.5% and 0.65%. For the samples with Te concentrations of 1.4% and 3.1%, only was the Te-2-related peak observed. The pressure behaviors of these emission bands, were studied at 15 K. The Te-1 -related band has faster pressure shift to higher energy than ZnS band gap. On the other hand, the pressure coefficient of Te-2 -related bands is smaller than that of the ZnS band gap. According to a Koster-Slater model, we found that the increase of the density bandwidth of the valence band with pressure is the main reason for the faster shift of the Te-1 centers, while the relatively large difference in the pressure behavior of the Te-1 and Te-2 centers is mainly due to the difference in the pressure-induced enhancement of the impurity potential on Te-1 and Te-2 centers.