Abnormal ferroelectric response and enhancement of piezoelectricity of PbTiO3 under uniaxial compression

The ferroelectricity of rhombohedral PbTiO3 under uniaxial compression is investigated from first-principles study. Upon compression, the ferroelectricity decreases until a critical stress of -29 GPa and then increases with a further increase of the magnitude of the uniaxial compressive stress. We also find that uniaxial compression could enhance piezoelectricity and that the maximum piezoelectric coefficient d(33) occurs at sigma(33)=-49 GPa, which supports the experimentally observed piezoelectric behavior in rhombohedral Pb(Mg1/3Nb2/3O3)-0.32PbTiO(3) [Q. Wan, C. Chen, and Y. P. Shen, J. Appl. Phys. 98, 024103 (2005)]. Our calculated results show that the Pb, Ti, and O atoms have different contributions to the total polarization with increasing the magnitude of uniaxial compressive stress, and that when -sigma(33)>55 GPa, the Ti atoms no longer have contributions to the polarization, which leads to the changes of ferroelectricity and piezoelectricity. (C) 2008 American Institute of Physics.

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.

Rashba spin splitting of the minibands of coupled InAs/GaAs pyramid quantum dots

The Rashba spin splitting of the minibands of coupled InAs/GaAs pyramid quantum dots is investigated using the k center dot p method and valence force field model. The Rashba splitting of the two dimensional miniband in the lateral directions is found due to the structure inversion asymmetry in the vertical direction while the miniband in the vertical direction has no Rashba spin splitting. As the space between dots increases, the Rashba coefficients decrease and the conduction-band effective mass increases. This Rashba spin splitting of the minibands will significantly affect the spin transport properties between quantum dots. (C) 2008 American Institute of Physics.

Transmission properties of electron in quantum rings

We investigated the transmission probability of a single electron transmission through a quantum ring device based on the single-band effective mass approximation method and transfer matrix theory. The time-dependent Schrodinger equation is applied on a Gaussian wave packet passing through the quantum ring system. The electron tunneling resonance peaks split when the electron transmits through a double quantum ring. The splitting energy increases as the distance between the two quantum rings decreases. We studied the tunneling time through the single electron transmission quantum ring from the temporal evolution of the Gaussian wave packet. The electron probability density is sensitive to the thickness of the barrier between the two quantum rings. (C) 2008 American Institute of Physics.

The influence of Schottky contact metals on the strain of AlGaN barrier layers

Ir and Ni Schottky contacts on strained Al0.25Ga0.75N/GaN heterostructures, and the Ni Schottky contact with different areas on strained Al0.3Ga0.7N/GaN heterostructures have been prepared. Using the measured capacitance-voltage curves and the current-voltage curves obtained from the prepared Schottky contacts, the polarization charge densities of the AlGaN barrier layer for the Schottky contacts were analyzed and calculated by self-consistently solving Schrodinger's and Poisson's equations. It is found that the polarization charge density of the AlGaN barrier layer for the Ir Schottky contact on strained Al0.25Ga0.75N/GaN heterostructures is different from that of the Ni Schottky contact, and the polarization charge densities of the AlGaN barrier layer for Ni Schottky contacts with different areas on strained Al0.3Ga0.7N/GaN heterostructures are different corresponding to different Ni Schottky contact areas. As a result, the conclusion can be made that Schottky contact metals on strained AlGaN/GaN heterostructures have an influence on the strain of the AlGaN barrier layer. (C) 2008 American Institute of Physics.

Temperature dependence of effective g factor in diluted magnetic semiconductor (Ga,Mn)As

Time resolved magneto-optic Kerr rotation measurements of optically induced spin quantum beats are performed on heavily doped bulk (Ga,Mn)As diluted magnetic semiconductors (DMS). An effective g-factor of about 0.2-0.3 over a wide range of temperature for both as-grown and annealed (Ga,Mn)As samples is obtained. A larger effective g-factor at lower temperature and an increase of the spin relaxation with increasing in-plane magnetic field are observed and attributed to the stronger p-d exchange interaction between holes and the localized magnetic ion spins, leading to a larger Zeeman splitting and heavy-hole-light-hole mixing. An abnormal dip structure of the g-factor in the vicinity of the Curie temperature suggests that the mean-field model is insufficient to describe the interactions and dynamics of spins in DMS because it neglects the short-range spin correlation effect. (c) 2008 American Institute of Physics.

Study of the wetting layer of InAs/GaAs nanorings grown by droplet epitaxy

The properties of the wetting layer (WL) of InAs nanorings grown by droplet epitaxy have been studied. The heavy-hole (HH) and light-hole (LH) related transitions of the In(Ga)As WL were observed by reflectance difference spectroscopy. From the temperature dependent photoluminescence behavior of InAs rings, the channel for carriers to redistribute was found to be the compressed GaAs instead of the In(Ga)As layer, which strongly indicated that the wetting layer was depleted around the rings. Futhermore, a complex evolution of the WL with In deposition amount has been observed. (c) 2008 American Institute of Physics.

Enhancement of the light output power of InGaN/GaN light-emitting diodes grown on pyramidal patterned sapphire substrates in the micro- and nanoscale

Sapphire substrates were patterned by a chemical wet etching technique in the micro- and nanoscale to enhance the light output power of InGaN/GaN light-emitting diodes (LEDs). InGaN/GaN LEDs on a pyramidal patterned sapphire substrate in the microscale (MPSS) and pyramidal patterned sapphire substrate in the nanoscale (NPSS) were grown by metalorganic chemical vapor deposition. The characteristics of the LEDs fabricated on the MPSS and NPSS prepared by wet etching were studied and the light output powers of the LEDs fabricated on the MPSS and NPSS increased compared with that of the conventional LEDs fabricated on planar sapphire substrates. In comparison with the planar sapphire substrate, an enhancement in output power of about 29% and 48% is achieved with the MPSS and NPSS at an injection current of 20 mA, respectively. This significant enhancement is attributable to the improvement of the epitaxial quality of GaN-based epilayers and the improvement of the light extraction efficiency by patterned sapphire substrates. Additionally, the NPSS is more effective to enhance the light output power than the MPSS. (c) 2008 American Institute of Physics.

Elasticity, band-gap bowing, and polarization of AlxGa1-xN alloys

Elastic constants, the bulk modulus, Young's modulus, band-gap bowing coefficients, spontaneous and piezoelectric polarizations, and piezoelectric coefficients of hexagonal AlxGa1-xN ternary alloys are calculated using first-principles methods. The fully relaxed structures and the structures subjected to homogeneous biaxial and uniaxial tension are investigated. We show that the biaxial tension in the plane perpendicular to the c axis and the uniaxial tension along the c axis all reduce the bulk modulus, whereas they reduce and enhance Young's modulus, respectively. We find that the biaxial and uniaxial tension can enhance the bowing coefficients. We also find that the biaxial tension can enhance the total polarization, while the uniaxial tension will suppress the total polarization. (C) 2008 American Institute of Physics.

Valence band offset of MgO/InN heterojunction measured by x-ray photoelectron spectroscopy

MgO may be a promising gate dielectric and surface passivation film for InN based devices and the valence band offset of MgO/InN heterojunction has been measured by x-ray photoelectron spectroscopy. The valence band offset is determined to be 1.59 +/- 0.23 eV. Given the experimental band gap of 7.83 for the MgO, a type-I heterojunction with a conduction band offset of 5.54 +/- 0.23 eV is found. The accurate determination of the valence and conduction band offsets is important for use of MgO/InN electronic devices. (c) 2008 American Institute of Physics.

Spin-orbit splitting of a hydrogenic donor impurity in GaAs/GaAlAs quantum wells

The electronic states of a hydrogenic donor impurity in GaAs/GaAlAs quantum wells are investigated theoretically in the framework of effective-mass envelope function theory, including the effect of Rashba spin-orbit coupling. The splits of electron energy levels are calculated. The results show that (1) the split energy of the excited state is larger than that of the ground state; (2) the split energy peak appears as the GaAs well width increases from zero; and (3) the maximum split energy reaches about 1.6 meV. Our results are useful for the application of Rashba spin-orbit coupling to photoelectric devices. (c) 2008 American Institute of Physics.

Valence band offset of ZnO/GaAs heterojunction measured by x-ray photoelectron spectroscopy

X-ray photoelectron spectroscopy has been used to measure the valence band offset at the ZnO/GaAs heterojunction interface. The valence band offset is determined to be 2.39 +/- 0.23 eV. As a consequence, a type-II heterojunction with a conduction band offset of -0.44 +/- 0.23 eV is found. The directly obtained value is in good agreement with the result of theoretical calculations based on the interface-induced gap states and the chemical electronegativity theory. (c) 2008 American Institute of Physics.

Fabrication and transport properties of ZnO/Nb-1 wt %-doped SrTiO3 epitaxial heterojunctions

(110) ZnO/(001) Nb-1 wt %-doped SrTiO3 n-n type heteroepitaxial junctions were fabricated using the pulse laser deposition method. A diodelike current behavior was observed. Different from conventional p-n junctions or Schottky diodes, the diffusion voltage was found to increase with temperature. At all temperatures, the forward current was perfectly fitted on the thermionic emission model. The band bending at the interface can qualitatively explain our results, and the extracted high ideality factor at low temperatures, as well as large saturation currents, is ascribed to the deep-level-assisted tunneling current through the junction. (C) 2008 American Institute of Physics.

Does an enhanced yellow luminescence imply a reduction of electron mobility in n-type GaN?

It is studied whether there is any regular relationship between the yellow luminescence band and electron mobility of n-type GaN. For a series of GaN samples grown with the same Si doping, it is found that the electron mobility decreases with an increase of relative intensity of yellow luminescence, accompanied by an increase of edge dislocation density. Further research indicates that it is acceptors introduced by edge dislocations which lead to the concomitant changes of yellow luminescence and electron mobility. Similar changes are induced by Si doping in the n-type GaN samples with relatively low edge dislocation density. However, the relationship between the yellow luminescence and electron mobility of n-type GaN is not a simple one. A light Si doping may simultaneously increase yellow luminescence and electron mobility when Si doping plays a dominant role in reducing the carrier scattering. This means that even the intensity of yellow luminescence is often used as an indicator of material quality for GaN, it does not have any monotonous correlation with the electron mobility of GaN. (c) 2007 American Institute of Physics.

Thermodynamic properties of Cu-3(CO3)(2)(OH)(2) and the spin-1/2 distorted diamond Heisenberg chain

The thermodynamic properties of the spin-1/2 diamond quantum Heisenberg chain model have been investigated by means of the transfer matrix renormalization group (TMRG) method. Considering different crystal structures, by changing the interactions among different spins and the external magnetic fields, we first investigate the magnetic susceptibility, magnetization, and specific heat of the distorted diamond chain as a model of ferrimagnetic spin systems. The susceptibility and the specific heat show different features for different ferromagnetic (F) and antiferromagnetic (AF) interactions and different magnetic fields. A 1/3 magnetization plateau is observed at low temperature in a magnetization curve. Then, we discuss the theoretical mechanism of the double-peak structure of the magnetic susceptibility and the three-peak structure of the specific heat of the compound Cu-3(CO3)(2)(OH)(2), on which an elegant measurement was performed by Kikuchi [Phys. Rev. Lett. 94, 227201 (2005)]. Our computed results are consistent with the main characteristics of the experimental data. Meanwhile, we find that the double-peak structure of susceptibility can be found in several different kinds of spin interactions in the diamond chain. Moreover, a three-peak behavior is observed in the TMRG results of magnetic susceptibility. In addition, we perform calculations relevant for some experiments and explain the characteristics of these materials. (c) 2007 American Institute of Physics.