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.

InGaN/GaN p-i-n Photodiodes Fabricated with Mg-Doped p-InGaN Layer

Mg-doped p-InGaN layers with In composition of about 10% are grown by metalorganic chemical vapor deposition (MOCVD). The effect of the annealing temperature on the p-type behavior of Mg-doped InGaN is studied. It is found that the hole concentration in p-InGaN increases with a rising annealing temperature in the range of 600 850 C, while the hole mobility remains nearly unchanged until the annealing temperature increases up to 750 C, after which it decreases. On the basis of conductive p-type InGaN growth, the p-In0.1Ga0.9N/i-In0.1Ga0.9N/n-GaN junction structure is grown and fabricated into photodiodes. The spectral responsivity of the InGaN/GaN p-i-n photodiodes shows that the peak responsivity at zero bias is in the wavelength range 350-400 nm.

Influence of Mg content on molecular-beam-epitaxy-grown ZnMgS ultraviolet photodetectors

Zn1-xMgxS-based Schottky barrier ultraviolet (UV) photodetectors were fabricated using the molecular-beam-epitaxy (MBE) technique. The influence of Mg content on MBE-grown Zn1-xMgxS-based UV photodetectors has been investigated in details with a variety of experimental techniques, including photoresponse (PR), capacitance-voltage, deep level transient Fourier spectroscopy (DLTFS) and photoluminescence (PL). The room-temperature PR results show that the abrupt long-wavelength cutoffs covering 325, 305 295. and 270 nm with Mg contents of 16%, 44%, 57%, and 75% in the Zn1-xMgxS active layers, respectively, were achieved. But the responsivity and the external quantum efficiency exhibited a slight decrease with the Mg content increasing. In good agreement with the PR results, both of the integrated intensity of the PL spectra obtained from Zn1-xMgxS thin films with different Mg compositions (x = 31% and 52%, respectively) and the DLTFS spectra obtained from Zn1-xMgxS-based (x = 5% and 45%, respectively) UV photodetector samples clearly revealed a significant concentration increase of the non-radiative deep traps with increasing Mg containing in the ZnMgS active layers. Our experimental results also indicate that the MBE-grown ZnMgS-based photodetectors can offer the promising characteristics for the detection of short-wavelength UV radiation. (C) 2004 Elsevier B.V. All rights reserved.

Enhanced performance of p-GaN by Mg delta doping

The electrical and structural properties of Mg delta-doped GaN epilayers grown by MOCVD were investigated. Compared to uniform Mg-doping GaN layers, it has been shown that the delta-doping (delta-doping) process could suppress the dislocation density and enhance the p-type performance. The influence of pre-purge step on the structural properties of GaN was also investigated. The hole concentration of p-GaN decreases when using a pre-purge step. These results can be explained convincingly using a simple model of impurity incorporation under Ga-free growth condition. (C) 2007 Elsevier B.V. All rights reserved.

Bioactivity of Mg-ion-implanted zirconia and titanium

Titanium and zirconia are bioinert materials lacking bioactivity. In this work, surface modification of the two typical biomaterials is conducted by Mg-ion-implantation using a MEVVA ion source in an attempt to increase their bioactivity. Mg ions were implanted into zirconia and titanium with fluences ranging from 1 x 10(17) to 3 x 10(17) ions/cm(2) at 40 keV. The Mg-implanted samples, as well as control (unimplanted) samples, were immersed in SBF for 7 days and then removed to identify the presence of calcium and phosphate (Ca-P) coatings and to characterize their morphology and structure by SEM, XRD, and FT-IR. SEM observations confirm that globular aggregates are formed on the surfaces of the Mg-implanted zirconia and titanium while no precipitates are observed on the control samples. XRD and FT-IR analyses reveal that the deposits are carbonated hydroxyapatite (HAp). Our experimental results demonstrate that Mg-implantation improves the bioactivity of zirconia and titanium. Further, it is found that the degree of bioactivity is adjustable by the ion dose. Mechanisms are proposed to interpret the improvement of bioactivity as a result of Mg implantation and the difference in bioactivity between zirconia and titanium. (c) 2006 Elsevier B.V. All rights reserved.

Growth and annealing study of Mg-doped AlGaN and GaN/AlGaN superlattices

Mg-doped AlGaN and GaN/AlGaN superlattice are grown by metalorganic chemical vapour deposition (MOCVD). Rapid thermal annealing (RTA) treatments are carried out on the samples. Hall and high resolution x-ray diffraction measurements are used to characterize the electrical and structural prosperities of the as-grown and annealed samples, respectively. The results of hall measurements show that after annealing, the Mg-doped AlGaN sample can not obtain the distinct hole concentration and can acquire a resistivity of 1.4 x 10(3) Omega cm. However, with the same annealing treatment, the GaN/AlGaN superlattice sample has a hole concentration of 1.7 x 10(17) cm(-3) and of Mg acceptors, which leads to higher hole concentration and lower p-type resistivity.

Study on Mg memory effect in npn type AlGaN/GaN HBT structures grown by MOCVD

AlGaN/GaN npn heterojunction bipolar transistor structures were grown by low-pressure MOCVD. Secondary ion mass spectroscopy (SIMS) measurements were carried out to study the Mg memory effect and redistribution in the emitter-base junction. The results indicated that there is a Mg-rich film formed in the ongrowing layer after the Cp2Mg source is switched off. The Mg-rich film can be confined in the base section by switching off the Cp2Mg source for appropriate time before the end of base growth. Low temperature growth of the undoped GaN spacer suppresses the Mg redistribution from Mg rich film. The delay rate of the Mg profile in sample C with spacer growing in low temperature is about 56 nm/decade, which becomes sharper than 80 nm/decade of the samples A and B without low temperature spacer. (C) 2005 Elsevier Ltd. All rights reserved.

Synthesis and temperature-dependent near-band-edge emission of chain-like Mg-doped ZnO nanoparticles

Chain-like Mg-doped ZnO nanoparticles were prepared using a wet chemical method combined with subsequent heat treatment. The blueshifted near-band-edge emission of the doped ZnO sample with respect to the undoped one was investigated by temperature-dependent photoluminescence. Based on the energy shift of the free-exciton transition, a band gap enlargement of similar to 83 meV was estimated, which seems to result in the equivalent shift of the bound-exciton transition. At 50 K, the transformation from the donor-acceptor-pair to free-to-acceptor emissions was observed for both the undoped and doped samples. The results show that Mg doping leads to the decrease of the acceptor binding energy. (c) 2006 American Institute of Physics.

Photoluminescence of Mg-doped GaN grown by metalorganic chemical vapor deposition

Two Mg-doped GaN films with different doping concentrations were grown by a metalorganic chemical vapor deposition technique. Photoluminescence (PL) experiments were carried out to investigate the optical properties of these films. For highly Mg-doped GaN, the PL spectra at 10 K are composed of a blue luminescence (BL) band at 2.857 eV and two excitonic luminescence lines at 3.342 eV and 3.282 eV, in addition to a L2 phonon replica at 3.212 eV. The intensity of the L1 line decreases monotonously with an increase,in temperature. However, the intensity of the L2 line first slowly increases at first, and then decreases quickly with an increase in temperature. The two lines are attributed to bound excitonic emissions at extended defects. The BL band is most likely due to the transition from deep donor Mg-V-N complex to Mg shallow acceptor. From the temperature dependence of the luminescence peak intensity of the BL band, the activation energy of acceptor Mg was found to be 290 meV. (C) 2003 American Vacuum Society.

Photoluminescence and capacitance transients in highly Mg-doped GaN

Behaviors of the photoluminescence blue-band and near-bandgap peak and the relevant thermal ionization energies of the shallow and deep Mg-related acceptors have been studied, respectively. The 2.989 eV blue-band is attributed to the deep donor-acceptor-pair transitions involving a deep Mg-related acceptor at E-v+0.427 eV. The blueshift with increasing excitation power is explained by variation in the contribution of close and distant donor-acceptor-pairs to the luminescence. The redshift with increasing temperature results from thermal release of carriers from close donor-acceptor-pairs. The 3.26 eV near-bandgap peak is attributed to the shallow donor-acceptor-pair transitions involving a shallow Mg-related acceptor at E-v+0.223 eV. The relevant thermal ionization energies of the shallow and deep Mg-related acceptors, being about E-v+0.16 and E-v+0.50eV, are determined from deep-level transient Fourier spectroscopy measurements.

Photoluminescence of rapid-thermal annealed Mg-doped GaN films

We report the investigation of temperature and excitation power dependence in photoluminescence spectroscopy measured in Mg-doped GaN epitaxial layers grown on sapphire by metalorganic chemical vapor deposition, The objective is to examine the effects of rapid-thermal annealing on Mg-related emissions. It is observed that the peak position of the 2.7-2.8 eV emission line is a function of the device temperature and annealing conditions, The phenomenon is attributed to Coulomb-potential fluctuations in the conduction and valence band edge and impurity levels due to the Mg-related complex dissociation. The blue shift of the 2.7-2.8 eV emission line with increasing excitation power provides clear evidence that a donor-acceptor recombination process underlies the observed emission spectrum. In addition, quenching of minor peaks at 3.2 and 3.3 eV are observed and their possible origin is discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

Room-temperature optical transitions in Mg-doped cubic GaN/GaAs(100) grown by metalorganic chemical vapor deposition

The mechanism of room-temperature optical transitions in a Mg-doped cubic GaN epilayer grown on GaAs(100) by metalorganic chemical vapor deposition has been investigated. By examining the dependence of photoluminescence on the excitation intensity (which varied over four orders) at room temperature, four different emissions with different origins were identified. A blue emission at similar to 3.037 eV was associated with a shallow Mg acceptor, while three different lower-energy emissions at similar to 2.895, similar to 2.716, and similar to 2.639 eV were associated with a deep Mg complex. In addition to a shallow acceptor at E congruent to 0.213 eV, three Mg-related deep defect levels were also found at around 215, 374, and 570 meV (from the conduction band). (C) 2000 American Institute of Physics. [S0021-8979(00)01904-6].

Effect of thermal annealing on hole trap levels in Mg-doped GaN grown by metalorganic vapor phase epitaxy

Deep trap levels in a Mg-doped GaN grown by metalorganic vapor phase epitaxy are studied with deep level transient spectroscopy (DLTS). The Mg concentration of the sample was 4.8 x 10(19) cm(-3), but the hole concentration was as low as 1.3x10(17) cm-3 at room temperature. The DLTS spectrum has a dominant peak D-1 with an activation energy of 0.41+/-0.05 eV, accompanied by two additional peaks with activation energies of 0.49+/-0.09 eV (D-2) and 0.59+/-0.05 eV (D-3). It was found that the dominant peak D-1 consists of five peaks, each of which has different activation energy and capture cross section. In order to investigate these deep levels further, we performed heat treatment on the same samples to observe the variations of activation energy, capture cross section, and amplitude of DLTS signals. It was found that the longer the heat treatment duration is, the lower the amplitude of DLTS peaks become. This suggests that the decrease of the DLTS signal originates from hydrogen atom outgoing from the film during the annealing process. The possible originality of multiple trap levels was discussed in terms of the Mg-N-H complex. (C) 2000 American Vacuum Society. [S0734-2101(00)01701-2].

Pulsed excimer laser annealing of Mg-doped cubic GaN

A KrF (248 nm) excimer laser with a 38 ns pulse width was used to study pulsed laser annealing (PLA) on Mg-doped cubic GaN alms. The laser-induced changes were monitored by photoluminescence (PL) measurement. It indicated that deep levels in as-grown cubic GaN : Mg films were neutralized by H and PLA treatment could break Mg-H-N complex. The evolution of emissions around 426 and 468 nm with different PLA conditions reflected the different activation of the involved deep levels. Rapid thermal annealing (RTA) in N-2 atmosphere reverts the luminescence of laser annealed samples to that of the pre-annealing state. The reason is that most H atoms still remained in the epilayers after PLA due to the short duration of the pulses and reoccupied the original locations during RTA. (C) 2000 Elsevier Science B.V. All rights reserved. PACS: 61.72.Vv; 61.72.Cc; 18.55. -m.

Hole trap levels in Mg-doped GaN grown by metalorganic vapor phase epitaxy

Hole trap levels in a Mg-doped GaN grown by metalorganic vapor phase epitaxy (MOVPE) are studied with deep level transient spectroscopy (DLTS). The Mg concentration of the sample was 4.8 x 10(19) cm(-3), but the hole concentration was as low as 1.3 x 10(17) cm(-3) at room temperature. The DLTS spectrum has a dominant peak D-1 with activation energy of 0.41+/-0.05 eV, accompanied by two additional peaks with activation energies of 0.49+/-0.09 eV (D-2) and 0.59+/-0.05 eV (D-3). It was found that the dominant peak D-1 consists of five peaks, each of which has different activation energy and capture cross section. A relevant model for these levels is presented in relation to the Mg-N-H complexes. (C) 1998 American Institute of Physics. [S0003-6951(98)04340-X].