Elasticity, band structure, and piezoelectricity of BexZn1-xO alloys

Lattice constants, elasticity, band structure and piezoelectricity of hexagonal wideband gap BexZn1-xO ternary alloys are calculatedusing firstprinciples methods. The alloys' lattice constants obey Vegard's law well. As Be concentration increases, the bulk modulus and Young's modulus of the alloys increase, whereas the piezoelectricity decreases. We predict that BexZn1-xO/GaN/substrate (x = 0.022) multilayer structure can be suitable for high-frequency surface acoustic wave device applications. Our calculated results are in good agreement with experimental data and other theoretical calculations. (c) 2008 Elsevier B.V. All rights reserved.

Effect on nitrogen acceptor as Mg is alloyed into ZnO

Our Raman measurement indicates that the intensity of the peaks (510 and 645 cm(-1)) related to nitrogen concentration is enhanced in MgZnO compared with that in ZnO. Using first-principles band structure methods, we calculated the formation energy and transition energy level for nitrogen acceptor in ZnO and random MgxZn1-xO (with x=0.25) alloy. Our calculations show that the incorporation of nitrogen can be enhanced as Mg is alloyed into ZnO, which agrees with our experiments. The acceptor energy level deeper in the alloy ascribes to the downward shift of the valence-band maximum edge in the presence of magnesium. (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.

Magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO: First-principles calculations

The electronic structure and magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO have been investigated using first-principles methods. We show that the magnetic coupling between Gd or Nd ions in the nearest neighbor sites is ferromagnetic. The stability of the ferromagnetic coupling between Gd ions can be enhanced by appropriate electron doping into ZnO Gd system and the room-temperature ferromagnetism can be achieved. However, for ZnO Nd system, the ferromagnetism between Nd ions can be enhanced by appropriate holes doping into the sample. The room-temperature ferromagnetism can also be achieved in the n-conducting ZnO Nd sample. Our calculated results are in good agreement with the conclusions of the recent experiments. The effect of native defects (V-Zn, V-O) on the ferromagnetism is also discussed. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3176490]

Epitaxial Growth of AlInGaN Quaternary Alloys by RF-MBE

AlInGaN quaternary alloys were successfully grown on sapphire substrate by radio-frequency plasma-excited molecular beam epitaxy (RF-MBE). AlInGaN quaternary alloys with different compositions were acquired by changing the Al cell's temperature. The streaky RHEED patterns were observed during AlInGaN quaternary alloys growth. Scanning Electron Microscope (SEM), Rutherford back-scattering spectrometry (RBS), X-Ray diffraction (XRD) and Cathodoluminescence (CL) were used to characterize the structural and optical properties of the AlInGaN alloys. The experimental results show that the AlInGaN quaternary alloys grow on the GaN buffer in the layer-by-layer growth mode. When the Al cell's temperature is 920 degrees C, the Al/In ratio in the AlInGaN quaternary alloys is about 4.7, and the AlInGaN can acquire better crystal and optical quality. The X-ray and CL full-width at half-maximum (FWHM) of the AlInGaN are 5arcmin and 25nm, respectively.

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.

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.

Phase-separation suppression in GaN-rich side of GaNP alloys grown by metal-organic chemical vapor deposition

The GaN-rich side of GaNP ternary alloys has been successfully synthesized by light-radiation heating and low-pressure metal-organic chemical vapor deposition. X-ray diffraction (XRD) rocking curves show that the ( 0002) peak of GaNP shifts to a smaller angle with increasing P content. From the GaNP photoluminescence (PL) spectra, the red shifts from the band-edge emission of GaN are determined to be 73, 78 and 100 meV, respectively, in the GaNP alloys with the P contents of 1.5%, 5.5% and 7.5%. No PL peak or XRD peak related to GaP is observed, indicating that phase separation induced by the short-range distribution of GaP-rich regions in the GaNP layer has been effectively suppressed. The phase-separation suppression in the GaNP layer is associated with the high growth rate and the quick cooling rate under the given growth conditions, which can efficiently restrain the accumulation of P atoms in the GaNP layer.

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.

Anomalous temperature dependence of photoluminescence from stoichiometric GD(2)O(3-x) film

A stoichiometric Gd2O3-x thin film has been grown on a silicon (10 0) substrate with a low-energy dual ion-beam epitaxial technique. Gd2O3-x shares Gd2O3 structures although there are many oxygen deficiencies in the film. The photoluminescence (PL) measurements have been performed in a temperature range 5-300 K. The detailed characters of the peak position, the full-width at half-maximum (FWHM) and the peak intensity at different temperature were reported. An anomalous intensity behavior of the PL spectra has been observed, which is similar to that of some other materials such as porous silicon and silicon nanocrystals in silicon dioxide. Therefore, we suggest that the nanoclusters with the oxygen deficiencies contribute to the PL emission and employ the model of singlet-triplet exchange splitting of exciton to discuss the four peaks observed in the experiment. (C) 2003 Elsevier B.V. All rights reserved.

(Ga, Gd, As) film growth on GaAs substrate by low-energy ion-beam deposit

(Ga, Gd, As) film was fabricated by the mass-analyzed dual ion-beam epitaxy system with the energy of 1000 eV at room temperature. There was no new peak found except GaAs substrate peaks (0 0 2) and (0 0 4) by X-ray diffraction. Rocking curves were measured for symmetric (0 0 4) reflections to further yield the lattice mismatch information by employing double-crystal X-ray diffraction. The element distributions vary so much due to the ion dose difference from AES depth profiles. The sample surface morphology indicates oxidizing layer roughness is also relative to the Gd ion dose, which leads to islandlike feature appearing on the high-dose sample. One sample shows ferromagnetic behavior at room temperature. (C) 2003 Elsevier B.V. All rights reserved.

Optical properties of phase-separated GaN1-xPx alloys grown by light-radiation heating metal-organic chemical vapour deposition

Based on the results of the temperature-dependent photoluminescence (PL) measurements, the broad PL emission in the phase-separated GaNP alloys with P compositions of 0.03, 0.07, and 0.15 has investigated. The broad PL peaks at 2.18, 2.12 and 1.83 eV are assigned to be an emission from the optical transitions from several trap levels, possibly the iso-electronic trap levels related to nitrogen. With the increasing P composition (from 0.03 to 0.15), these iso-electronic trap levels are shown to become resonant with the conduction band of the alloy and thus optically inactive, leading to the apparent red shift (80-160meV) of the PL peak energy and the trend of the red shift is strengthened. No PL emission peak is observed from the GaN-rich GaNP region, suggesting that the photogenerated carriers in the GaN-rich GaNP region may recombine with each other via non-radiation transitions.

Effects of the wave function localization in AlInGaN quaternary alloys

Using the first-principles band-structure method and the special quasirandom structures approach, the authors have investigated the band structure of random AlxInyGa1-x-yN quaternary alloys. They show that the wave functions of the band edge states are more localized on the InN sites. Consequently, the photoluminescence transition intensity in the alloy is higher than that in GaN. The valence band maximum state of the quaternary alloy is also higher than GaN with the same band gap, indicating that the alloy can be doped more easily as p-type. (c) 2007 American Institute of Physics.

The growth of high-Al-content InAlGaN quaternary alloys by RF-MBE

High-Al-content InxAlyGa1-x-yN (x = 1-10%, y = 34-45%) quaternary alloys were grown on sapphire by radio-frequency plasma-excited molecular beam epitaxy. Rutherford back-scattering spectrometry, high resolution x-ray diffraction and cathodoluminescence were used to characterize the InAlGaN alloys. The experimental results show that InAlGaN with an appropriate Al/In ratio (near 4.7, which is a lattice-match to the GaN under-layer) has better crystal and optical quality than the InAlGaN alloys whose Al/In ratios are far from 4.7. Some cracks and V-defects occur in high-Al/In-ratio InAlGaN alloys. In the CL image, the cracks and V-defect regions are the emission-enhanced regions.

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.