Electronic structures of wurtzite ZnO, BeO, MgO and p-type doping in Zn1-xYxO (Y = Mg, Be)

Using the density function theory within the generalized gradient approximation, the band structures of wurtzite ZnO, BeO and MgO have been calculated. The effective-mass parameters are fitted using the calculated eigenvalues. The Dresselhaus spin-orbit effect appears in the k[1 00] direction, and is zero in the high symmetry direction k[00 1]. The orderings of valence band split by the crystal-field and spin-orbit coupling in wurtzite ZnO, BeO and MgO are identified by analyzing the wave function characters calculated by projecting the wave functions onto p-state in the spherical harmonics. For wurtzite ZnO, the ordering of valence band is Still Gamma(7) > Gamma(9) > Gamma(7) due to the negative spin-orbit coupling splitting energy and the positive crystal-field splitting energy. Thus, the Thomas' conclusion is confirmed. For wurtzite BeO and MgO, although their orderings of valence bands are Gamma(7) > Gamma(9) > Gamma(7) too, the origins of their orderings are different from that of wurtzite ZnO. Zn1-x,YxO (Y = Mg, Be) doped with N and P atoms have been studied using first-principles method. The calculated results show that N atom doped in Zn1-x BexO has more shallow acceptor energy level with increasing the concentration of Be atom. (C) 2008 Elsevier B.V. All rights reserved.

First-principles study of p-type transparent conductive oxides CuXO2 (X=Y, Sc, and Al)

Using first-principles methods we have calculated electronic structures, optical properties, and hole conductivities of CuXO2 (X=Y, Sc, and Al). We show that the direct optical band gaps of CuYO2 and CuScO2 are approximately equal to their fundamental band gaps and the conduction bands of them are localized. The direct optical band gaps of CuXO2 (X=Y, Sc, and Al) are 3.3, 3.6, and 3.2 eV, respectively, which are consistent with experimental values of 3.5, 3.7, and 3.5 eV. We find that the hole mobility along long lattice c is higher than that along other directions through calculating effective masses of the three oxides. By analyzing band offset we find that CuScO2 has the highest valence band maximum (VBM) among CuXO2 (X=Y, Sc, and Al). In addition, the approximate transitivity of band offset suggests that CuScO2 has a higher VBM than CuGaO2 and CuInO2 [Phys. Rev. Lett. 88, 066405 (2002)]. We conclude that CuScO2 has a higher p-type doping ability in terms of the doping limit rule. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2991157]

Structure and magnetic characteristics of nonpolar a-plane GaN : Mn films

Diluted magnetic nonpolar GaN:Mn films have been fabricated by implanting Mn ions into unintentionally doped nonpolar a-plane (1 1 (2) over bar 0) GaN films with a subsequent rapid thermal annealing (RTA) process. The structure, morphology and magnetic characteristics of the samples were investigated by means of high-resolution x-ray diffraction (XRD), atomic force microscopy (AFM) and a superconducting quantum interference device (SQUID), respectively. The XRD analysis shows that the RTA process can effectively recover the crystal deterioration caused by the implantation process and that there is no obvious change in the lattice parameter for the as-annealed sample. The SQUID result indicates that the as-annealed sample shows ferromagnetic properties and magnetic anisotropy at room temperature.

Preliminary design of a tensile-strained p-type Si/SiGe quantum well infrared photodetector

Considering tensile-strained p-type Si/Si1-yGey quantum wells grown on a relaxed Si1-xGex ( 0 0 1) virtual substrate ( y < x), the hole subband structure and the effective masses of the first bound hole state in the quantum wells are calculated by using the 6 x 6 k center dot p method. Designs for tensile-strained p-type quantum well infrared photodetectors ( QWIPs) based on the bound-to-quasi-bound transitions are discussed, which are expected to retain the ability of coupling normally incident infrared radiation without any grating couplers, have lower dark current than n-type QWIPs and also have a larger absorption coefficient and better transport characteristics than normal unstrained or compressive-strained p-type QWIPs.

Mg acceptor energy levels in AlxInyGa1-x-yN quaternary alloys: An approach to overcome the p-type doping bottleneck in nitrides

The Mg-Ga acceptor energy levels in GaN and random Al8In4Ga20N32 quaternary alloys are calculated using the first-principles band-structure method. We show that due to wave function localization, the MgGa acceptor energy level in the alloy is significantly lower than that of GaN, although the two materials have nearly identical band gaps. Our study demonstrates that forming AlxInyGa1-x-yN quaternary alloys can be a useful approach to lower acceptor ionization energy in the nitrides and thus provides an approach to overcome the p-type doping difficulty in the nitride system.

The field emission properties of nonpolar a-plane n-type GaN films grown on nano-patterned sapphire substrates

Si-doped nonpolar a-plane GaN films were grown on nanopatterned sapphire substrates by a low-pressure metal organic chemical vapor deposition (MOCVD) system. The structure, morphology and field emission properties of the sample were studied by means of high-resolution X-ray diffraction (HRXRD), atomic force microscopy (AFM), and field emission measurement. The XRD analysis shows that the sample is a nonpolar a-plane (11 (2) over bar0) GaN film. The field emission measurement shows that the nonpolar GaN films exhibit excellent field emission properties with a threshold emission field of as low as 10 V/mu m at a current density of 0.63 mu A/cm(2), and a high field emission current density of 74 mA/cm(2) at an applied field of 24 V/mu m. Moreover, the Fowler-Nordheirn plot of the sample fits a near linear relation. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study

Using a first-principles band-structure method and a special quasirandom structure (SQS) approach, we systematically calculate the band gap bowing parameters and p-type doping properties of (Zn, Mg, Be)O related random ternary and quaternary alloys. We show that the bowing parameters for ZnBeO and MgBeO alloys are large and dependent on composition. This is due to the size difference and chemical mismatch between Be and Zn(Mg) atoms. We also demonstrate that adding a small amount of Be into MgO reduces the band gap indicating that the bowing parameter is larger than the band-gap difference. We select an ideal N atom with lower p atomic energy level as dopant to perform p-type doping of ZnBeO and ZnMgBeO alloys. For N doped in ZnBeO alloy, we show that the acceptor transition energies become shallower as the number of the nearest neighbor Be atoms increases. This is thought to be because of the reduction of p-d repulsion. The N-O acceptor transition energies are deep in the ZnMgBeO quaternary alloy lattice-matched to GaN substrate due to the lower valence band maximum. These decrease slightly as there are more nearest neighbor Mg atoms surrounding the N dopant. The important natural valence band alignment between ZnO, MgO, BeO, ZnBeO, and ZnMgBeO quaternary alloy is also investigated.

p-type doping of GaInNAs quaternary alloys

Using the first-principles band-structure method, we investigate the p-type doping properties and band structural parameters of the random Ga1-xInxN1-yAsy quaternary alloys. We show that the Mg-Ga substitution is a better choice than ZnGa to realize the p-type doping because of the lower transition energy level and lower formation energy. The natural valence band alignment of GaAs and GaInNAs alloys is also calculated, and we find that the valence band maximum becomes higher with the increasing in composition. Therefore, we can tailor the band offset as desired which is helpful to confine the electrons effectively in optoelectronic devices. (C) 2008 Published by Elsevier B.V.

A new p-n structure ultraviolet photodetector with p(-)-GaN active region

A new ultraviolet photodetector of employing p menus type GaN (p(-)-GaN) as the active layer is proposed. It is easy to obtain the p(-)-GaN layer with low carrier concentration. As a result, the depletion region can be increased and the quantum efficiency can be improved. The influence of some structure parameters on the performance of the new device is investigated. Through the simulation calculation, it is found that the quantum efficiency increases with the decrease of the barrier height between the metal electrode and the p(-)-GaN layer, and it is also found that the quantum efficiency can be improved by reducing the thickness of the p(-)-GaN layer. To fabricate the new photodetector with high performance, we should employ thin p(-)-GaN layer as the active layer and reduce the Schottky barrier height.

Decoherence of two Josephson charge qubits coupled via sigma(x)sigma(x)-type coupling and exposed to sigma(x) noise

Decoherence properties of two Josephson charge qubits coupled via the sigma(x)sigma(x) type are investigated. Considering the special structure of this new design, the dissipative effects arising from the circuit impedance providing the fluxes for the qubits' superconducting quantum interference device loops coupled to the sigma(x) qubit variables are considered. The results show that the overall decoherence effects are significantly strong in this qubit design. It is found that the dissipative effects are stronger in the case of coupling to two uncorrelated baths than are found in the case of one common bath.

Investigation of Mn-implanted n-type Ge

Mn+ irons were implanted to n-type Ge(1 1 1) single crystal at room temperature with an energy of 100 keV and a dose of 3 x 10(16) cm(-2). Subsequently annealing was performed at 400degreesC for 1 h under flowing nitrogen gas. X-ray diffraction measurements show that as-implanted sample is amorphous and the structure of crystal is restored after annealing. Polycrystalline germanium is formed in annealed sample. There are no new phases found except germanium. The samples surface morphologies indicate that annealed sample has island-like feature while there is no such kind of characteristic in as-implanted sample. The elemental composition of annealed sample was analyzed by Auger electron spectroscopy. It shows that manganese ions are deeply implanted into germanium substrate and the highest manganese atomic concentration is 8% at the depth of 120 nm. The magnetic properties of samples were investigated by an alternating gradient magnetometer. The annealed sample shows ferromagnetic behavior at room temperature. (C) 2004 Elsevier B.V. All rights reserved.

Greatly enhanced resonant tunneling of photo-excited holes in a three-barrier resonant tunneling structure

By integrating a resonant tunneling diode with a 1.2 mu m-thick slightly doped n-type GaAs layer in a three-barrier, two-well resonant tunneling structure, the resonant tunneling of photo-excited holes exhibits a value of peak-to-valley current ratio (PVCR) as high as 36. A vast number of photo-excited holes generated in this 1.2 mu m-thick slightly doped n-type GaAs layer, and the quantization of hole levels in a 23nm-thick quantum well on the outgoing side of hole tunneling out off the resonant tunneling diode which greatly depressed the valley current of the holes, are thought to be responsible for such greatly enhanced PVCR.

Design of shallow acceptors in ZnO: First-principles band-structure calculations

p-type doping is a great challenge for the full utilization of ZnO as short-wavelength optoelectronic material. Due to a large electronegative characteristic of oxygen, the ionization energy of acceptors in ZnO is usually too high. By analyzing the defect wave-function character, we propose several approaches to lower the acceptor ionization energy by codoping acceptors with donor or isovalent atoms. Using the first-principles band-structure method, we show that the acceptor transition energies of V-Zn-O-O can be reduced by introducing F-O next to V-Zn to reduce electronic potential, whereas the acceptor transition energy of N-O-nZn(Zn) (n=1-4) can be reduced if we replace Zn by isovalent Mg or Be to reduce the anion and cation kinetic p-d repulsion, as well as the electronic potential.

New type of Fano resonant tunneling via Anderson impurities in superlattice

The spectrum of differential tunneling conductance in Si-doped GaAs/AlAs superlattice is measured at low electric fields. The conductance spectra feature a zero-bias peak and a low-bias dip at low temperatures. By taking into account the quantum interference between tunneling paths via superlattice miniband and via Coulomb blockade levels of impurities, we theoretically show that such a peak-dip structure is attributed to a Fano resonance where the peak always appears at the zero bias and the line shape is essentially described by a new function \xi\/\xi\+1 with the asymmetry parameter q approximate to 0. As the temperature increases, the peak-dip structure fades out due to thermal fluctuations. Good agreement between experiment and theory enables us to distinguish the zero-bias resonance from the usual Kondo resonance.

A 1.5 mu m n-type InGaAsP/InGaAsP modulation-doped multiple quantum well DFB laser by MOCVD

1.5 mu m n-type InGaAsP/InGaAsP modulation-doped multiple quantum well (MD-MQW) DFB lasers have been fabricated successfully by low pressure metal organic chemical vapour deposition (LP-MOCVD) technology. The experimental results indicate that n-type MD-MQWs can effectively reduce the threshold Current compared with conventional multiple quantum well DFB lasers. Theoretical analysis indicates that such an effect is due to the much smaller absorption loss and lower Auger recombination, compared with that in an undoped MQW structure. Moreover, the introduction of n-type dopant of suitable levels of concentration in the barrier layers enhances the dynamic characteristics of DFB lasers, due to a coupling between the adjacent quantum well layers and tunnelling-assisted injection, which can reduce the relatively long capture time and increase the effective differential gain 1/X dG/dn .