Enhanced Proton Conduction in Polymer Electrolyte Membranes as Synthesized by Polymerization of Protic Ionic Liquid-Based Microemulsions

Proton-conducting membranes were prepared by polymerization of microemulsions consisting of surfactant-stabilized protic ionic liquid (PIL) nanodomains dispersed in a polymerizable oil, a mixture of styrene and acrylonitrile. The obtained PIL-based polymer composite membranes are transparent and flexible even though the resulting vinyl polymers are immiscible with PIL cores. This type of composite membranes have quite a good thermal stability, chemical stability, tunability, and good mechanical properties. Under nonhumidifying conditions, PIL-based membranes show a conductivity up to the order of 1 x 10(-1) S/cm at 160 degrees C, due to the well-connected PIL nanochannels preserved in the membrane. This type of polymer conducting membranes have potential application in high-temperature polymer electrolyte membrane fuel cells.

Nitrogen defects and ferromagnetism in Cr-doped dilute magnetic semiconductor AlN from first principles

High Curie temperature of 900 K has been reported in Cr-doped AlN diluted magnetic semiconductors prepared by various methods, which is exciting for spintronic applications. It is believed that N defects play important roles in achieving the high-temperature ferromagnetism in good samples. Motivated by these experimental advances, we use a full-potential density-functional-theory method and supercell approach to investigate N defects and their effects on ferromagnetism of (Al,Cr)N with N vacancies (V-N). We investigate the structural and electronic properties of V-N, single Cr atom, Cr-Cr atom pairs, Cr-V-N pairs, and so on. In each case, the most stable structure is obtained by comparing different atomic configurations optimized in terms of the total energy and the force on every atom, and then it is used to calculate the defect formation energy and study the electronic structures. Our total-energy calculations show that the nearest substitutional Cr-Cr pair with the two spins in parallel is the most favorable and the nearest Cr-V-N pair makes a stable complex. Our formation energies indicate that V-N regions can be formed spontaneously under N-poor condition because the minimal V-N formation energy equals -0.23 eV or Cr-doped regions with high enough concentrations can be formed under N-rich condition because the Cr formation energy equals 0.04 eV, and hence real Cr-doped AlN samples are formed by forming some Cr-doped regions and separated V-N regions and through subsequent atomic relaxation during annealing. Both of the single Cr atom and the N vacancy create filled electronic states in the semiconductor gap of AlN. N vacancies enhance the ferromagnetism by adding mu(B) to the Cr moment each but reduce the ferromagnetic exchange constants between the spins in the nearest Cr-Cr pairs. These calculated results are in agreement with experimental observations and facts of real Cr-doped AlN samples and their synthesis. Our first-principles results are useful to elucidate the mechanism for the ferromagnetism and to explore high-performance Cr-doped AlN diluted magnetic semiconductors.

Linear Rashba Model of a Hydrogenic Donor Impurity in GaAs/GaAlAs Quantum Wells

The Rashba spin-orbit splitting of a hydrogenic donor impurity in GaAs/GaAlAs quantum wells is investigated theoretically in the framework of effective-mass envelope function theory. The Rashba effect near the interface between GaAs and GaAlAs is assumed to be a linear relation with the distance from the quantum well side. We find that the splitting energy of the excited state is larger and less dependent on the position of the impurity than that of the ground state. Our results are useful for the application of Rashba spin-orbit coupling to photoelectric devices.

Stone-Wales defects created by low energy recoils in single-walled silicon carbide nanotubes

The defect creation at low energy events was studied using density functional theory molecular dynamics simulations in silicon carbide nanotubes, and the displacement threshold energies determined exhibit a dependence on sizes, which decrease with decreasing diameter of the nanotubes. The Stone-Wales (SW) defect, which is a common defect configurations induced through irradiation in nanotubes, has also been investigated, and the formation energies of the SW defects increase with increasing diameter of the nanotubes. The mean threshold energies were found to be 23 and 18 eV for Si and C in armchair (5,5) nanotubes. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3238307]

Binding Energy and Spin-Orbit Splitting of a Hydrogenic Donor Impurity in AlGaN/GaN Triangle-Shaped Potential Quantum Well

In the framework of effective-mass envelope function theory, including the effect of Rashba spin-orbit coupling, the binding energy E-b and spin-orbit split energy Gamma of the ground state of a hydrogenic donor impurity in AlGaN/GaN triangle-shaped potential heterointerface are calculated. We find that with the electric field of the heterojunction increasing, (1) the effective width of quantum well (W) over bar decreases and (2) the binding energy increases monotonously, and in the mean time, (3) the spin-orbit split energy Gamma decreases drastically. (4) The maximum of Gamma is 1.22 meV when the electric field of heterointerface is 1 MV/cm.

Nature of interfacial defects and their roles in strain relaxation at highly lattice mismatched 3C-SiC/Si (001) interface

Misfit defects in a 3C-SiC/Si (001) interface were investigated using a 200 kV high-resolution electron microscope with a point resolution of 0.194 nm. The [110] high-resolution electron microscopic images that do not directly reflect the crystal structure were transformed into the structure map through image deconvolution. Based on this analysis, four types of misfit dislocations at the 3C-SiC/Si (001) interface were determined. In turn, the strain relaxation mechanism was clarified through the generation of grow-in perfect misfit dislocations (including 90 degrees Lomer dislocations and 60 degrees shuffle dislocations) and 90 partial dislocations associated with stacking faults. (C) 2009 American Institute of Physics. [doi:10.1063/1.3234380]

Deep level defects in high temperature annealed InP

Deep level defects in high temperature annealed semi-conducting InP have been studied by deep level transient spectroscopy (DLTS). There is obvious difference in the deep defects between as-grown InP, InP annealed in phosphorus ambient and iron phosphide ambient, as far as their quantity and concentration are concerned. Only two defects at 0.24 and 0.64 eV can be detected in InP annealed in iron phosphide ambient, while defects at 0.24, 0.42, 0.54 and 0.64 eV have been detected in InP annealed in phosphorus ambient, in contrast to two defects at 0.49 and 0.64 eV or one defect at 0.13 eV in as-grown InP. A defect suppression phenomenon related to iron diffusion process has been observed. The formation mechanism and the nature of the defects have been discussed.

Investigations on V-defects in quaternary AlInGaN epilayers

The characteristics of V-defects in quaternary AlInGaN epilayers and their correlation with fluctuations of the In distribution are investigated. The geometric size of the V-defects is found to depend on the In composition of the alloy. The V-defects are nucleated within the AlInGaN layer and associated with threading dislocations. Line scan cathodoluminescence (CL) shows a redshift of the emission peak and an increase of the half width of the CL spectra as the electron beam approaches the apex of the V-defect. The total redshift decreases with decreasing In mole fraction in the alloy samples. Although the strain reduction may partially contribute to the CL redshift, indium segregation is suggested to be responsible for the V-defect formation and has a main influence on the respective optical properties. (C) 2004 American Institute Of Physics.

Defects in GaSb studied by coincidence Doppler broadening measurements

Undoped, Zn-doped and Te-doped GaSb with different concentrations were investigated by positron lifetime spectroscopy (PAS) and the Doppler broadening technique. Detection sensitivity of the latter technique was improved by using a second Ge-detector for the coincident detection of the second annihilation photon. PAS measurement indicated that there were vacancies in these samples. By combining the Doppler broadening measurements, the native acceptor defects in GaSb were identified to be predominantly Ga vacancy (V-Ga) related defects.

Defects around self-organized InAs quantum dots measured by slow positron beam

Self-organized InAs quantum dots (QDs) have been fabricated by molecular beam epitaxy. The authors try to use a slow positron beam to detect defects in and around self-organized QDs, and point defects are observed in GaAs cap layer above QDs. For the self-organized InAs QDs without strain-reducing layer, it is free of defects. However, by introducing a strain-reducing layer, the density of point defects around larger sized InAs QDs increased. The above results suggest that low energy positron beam measurements may be a good approach to detect depth profiles of defects in QD materials. (c) 2007 American Institute of Physics.

Electronic states of a hydrogenic donor impurity in semiconductor nano-structures

We propose a method for uniformly calculating the electronic states of a hydrogenic donor impurity in low-dimensional semiconductor nano-structures in the framework of effective-mass envelope-function theory, and we study the electronic structures of this systems. Compared to previous methods, our method has the following merits: (a) It can be widely applied in the calculation of the electronic states of hydrogenic donor impurities in nano-structures of various shapes; (b) It can easily be extended to study the effects of external fields and other complex cases; (c) The excited states are more easily calculated than with the variational method; (d) It is convenient to calculate the change of the electronic states with the position of a hydrogenic donor impurity in nano-structures; (e) The binding energy can be calculated explicitly. (c) 2007 Elsevier B.V. All rights reserved.

Investigation of oxygen vacancy and interstitial oxygen defects in ZnO films by photoluminescence and x-ray photoelectron spectroscopy

ZnO films prepared at different temperatures and annealed at 900 degrees C in oxygen are studied by photoluminescence (PL) and x-ray photoelection spectroscopy (XPS). It is observed that in the PL of the as-grown films the green luminescence (GL) and the yellow luminescence (YL) are related, and after annealing the GL is restrained and the YL is enhanced. The O 1s XPS results also show the coexistence of oxygen vacancy (Vo) and interstitial oxygen (O-i) before annealing and the quenching of the V-o after annealing. By combining the two results it is deduced that the GL and YL are related to the V-o and O-i defects, respectively.

Binding energy of a hydrogenic donor impurity in a rectangular parallelepiped-shaped quantum dot: Quantum confinement and Stark effects

We calculate the binding energy of a hydrogenic donor impurity in a rectangular parallelepiped-shaped quantum dot (QD) in the framework of effective-mass envelope-function theory using the plane wave basis. The variation of the binding energy with edge length, position of the impurity, and external electric field is studied in detail. A finite potential model is adopted in our calculations. Compared with the infinite potential model [C. I. Mendoza , Phys. Rev. B 71, 075330 (2005)], the following results are found: (1) if the impurity is located in the interior of the QD, our results give a smaller binding energy than the infinite potential model; (2) the binding energies are more sensitively dependent on the applied electric field in the finite potential model; (3) the infinite potential model cannot give correct results for a small QD edge length for any location of the impurity in the QD; (4) some degeneracy is lifted when the dot is no longer cubic. (C) 2007 American Institute of Physics.

Hydrogenic impurity in double quantum dots

The ground state binding energy and the average interparticle distances for a hydrogenic impurity in double quantum dots with Gaussian confinement potential are studied by the variational method. The probability density of the electron is calculated, too. The dependence of the binding energy on the impurity position is investigated for GaAs quantum dots. The result shows that the binding energy has a minimum as a function of the distance between the two quantum dots when the impurity is located at the center of one quantum dot or at the center of the edge of one quantum dot. When the impurity is located at the center of the two dots, the binding energy decreases monotonically. (c) 2006 Elsevier B.V. All rights reserved.

Generation and suppression of deep level defects in InP

Deep level defects in as-grown and annealed n-type and semi-insulating InP have been studied. After annealing in phosphorus ambient, a large quantity of deep level defects were generated in both n-type and semi-insulating InP materials. In contrast, few deep level defects exist in InP after annealing in iron phosphide ambient. The generation of deep level defects has direct relation with in-diffusion of iron and phosphorus in the annealing process. The in-diffused phosphorus and iron atoms occupy indium sites in the lattice, resulting in the formation of P anti-site defects and iron deep acceptors, respectively. T e results indicate that iron atoms fully occupy indium sites and suppress the formation of indium vacancy and P anti-site, etc., whereas indium vacancies and P anti-site defects. are formed after annealing in phosphor-us ambient. The nature of the deep level defects in InP has been studied based on the results.