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]

Tunneling magnetoresistance in (Ga,Mn)As/Al-O/CoFeB hybrid structures

Tunneling magnetoresistance (TMR) in Ga(0.9)2Mn(0.08)As/Al-O/Co40Fe40B20 trilayer hybrid structure as a function of temperature from 10 to 50 K with magnetic field vertical bar H vertical bar <= 2000 Oe has been studied. TMR ratio of 1.6% at low fields at 10 K was achieved with the applied current of 1 mu A. The behavior of junction resistance was well explained by the tunneling resistance across the barrier. Strong bias dependences of magnetoresistance and junction resistance were presented. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3068418]

Al composition variations in AlGaN films grown on low-temperature GaN buffer layer by metalorganic chemical vapor deposition

We have investigated the optical properties of AlGaN grown on sapphire. It is found that two main luminescence peaks occur in the cathodoluminescence (CL) spectra of AlGaN films, and their energy separation increases with the increase of Al source flux during the growth. Spatially resolved CL investigations have shown that the line splitting is a result of variation of AlN mole fraction within the layer. The Al composition varies in both lateral and vertical direction. It is suggested that the difference in the surface mobility of Al and Ga atoms, especially, its strong influence on the initial island coalescence process and the formation of island-like regions on the uneven film surface, is responsible for the Al composition inhomogeneity. (C) 2008 Elsevier B.V. All rights reserved.

Growth of crack-free GaN films on Si(111) substrate by using Al-rich AlN buffer layer

GaN epilayers were grown on Si(111) substrate by metalorganic chemical vapor deposition. By using the Al-rich AlN buffer which contains Al beyond stoichiometry, crack-free GaN epilayers with 1 mum thickness were obtained. Through x-ray diffraction (XRD) and secondary ion mass spectroscopy analyses, it was found that a lot of Al atoms have diffused into the under part of the GaN epilayer from the Al-rich AlN buffer, which results in the formation of an AlxGa1-xN layer at least with 300 nm thickness in the 1 mum thick GaN epilayer. The Al fraction x was estimated by XRD to be about 2.5%. X-ray photoelectron spectroscopy depth analysis was also applied to investigate the stoichiometry in the Al-rich buffer before GaN growth. It is suggested that the underlayer AlxGa1-xN originated from Al diffusion probably provides a compressive stress to the upper part of the GaN epilayer, which counterbalances a part of tensile stress in the GaN epilayer during cooling down and consequently reduces the cracks of the film effectively. The method using the Al diffusion effect to form a thick AlGaN layer is really feasible to achieve the crack-free GaN films and obtain a high crystal quality simultaneously. (C) 2004 American Institute of Physics.

A density-functional study of Al-doped Ti clusters: TinAl (n=1-13)

Equilibrium geometries, stabilities, and electronic properties of TinAl (n=1-13) clusters have been studied by using density-functional theory with local spin density approximation and generalized gradient approximation. The ground-state structures of TinAl clusters have been obtained. The resulting geometries show that the aluminum atom remains on the surface of clusters for n<9, but is slowly getting trapped beyond n=9, meanwhile, the Al atom exhibits a valent transition from monovalent to trivalent. The geometric effects and electronic effects clearly demonstrate the Ti4Al cluster to be endowed with special stability. The studies on the bonds indicate the change from ionic to metalliclike. (C) 2004 American Institute of Physics.

Effect of the N/Al ratio of AlN buffer on the crystal properties and stress state of GaN film grown on Si(111) substrate

The effect of the N/Al ratio of AlN buffers on the optical and crystal quality of GaN films, grown by metalorganic chemical vapor deposition on Si(111) substrates, has been investigated. By optimizing the N/Al ratio during the AlN buffer, the threading dislocation density and the tensile stress have been decreased. High-resolution X-ray diffraction exhibited a (0002) full-width at half-maximum as low as 396 acrsec. The variations of the tensile stress existing in the GaN films were approved by the redshifts of the donor bound exiton peaks in the low-temperature photoluminescence measurement at 77 K. (C) 2003 Elsevier B.V. All rights reserved.

Characteristics of high Al content AlxGa1-xN grown by metalorganic chemical vapor deposition

The epitaxial growth of AlxGa1-xN film with high Al content by metalorganic chemical vapor deposition (MOCVD) has been accomplished. The resulting Al content was determined to be 54% by high resolution X-ray diffraction (HRXRD) and Vegard's law. The full width at half maximum (FWHM) of the AlGaN (0002) HRXRD rocking curve was about 597 arcsec. Atomic force microscopy (AFM) image showed a relatively rough surface with grain-like islands, mainly coming from the low surface mobility of adsorbed Alspecies. From transmittance measurement, the cut-off wavelength was around 280 nm and Fabry-Perot fringes were clearly visible in the transmission region. Cathodoluminescence (CL) measurement indicated that there existed a uniformity in the growth direction and a non-uniformity in the lateral direction. (C) 2007 Elsevier Ltd. All rights reserved.

Al compositional inhomogeneity of AlGaN epilayer with a high Al composition grown by metal-organic chemical vapour deposition

The A1 compositional distribution of A1GaN is investigated by cathodoluminescence (CL). Monochromatic CL images and CL spectra reveal a lateral A1 compositional inhomogeneity, which corresponds to surface hexagonal patterns. Cross-sectional CL images show a relatively uniform Al compositional distribution in the growth direction, indicating columnar growth mode of A1GaN films. In addition, a thin A1GaN layer with lower Al composition is grown on top of the buffer A1N layer near the bottom of the A1GaN epilayer because of the larger lateral mobility of Ga adatoms on the growth surface and their accumulation at the grain boundaries.

The effects of LT AlN buffer thickness on the optical properties of AlGaN grown by MOCVD and Al composition inhomogeneity analysis

We have investigated the growth of AlGaN epilayers on a sapphire substrate by metalorganic chemical vapour deposition using various low-temperature ( LT) AlN buffer thicknesses. Combined scanning electron microscopy and cathodoluminescence investigations reveal the correlation between the surface morphology and optical properties of AlGaN films in a microscopic scale. It is found that the suitable thickness of the LT AlN buffer for high quality AlGaN growth is around 20 nm. The Al compositional inhomogeneity of the AlGaN epilayer is attributed to the low lateral mobility of Al adatoms on the growing surface.

Growth of AlGaN epitaxial film with high Al content by metalorganic chemical vapour deposition

A high-Al-content AlGaN epilayer is grown on a low-temperature-deposited AlN buffer on (0001) sapphire by low pressure metalorganic chemical vapour deposition. The dependence of surface roughness, tilted mosaicity, and twisted mosaicity on the conditions of the AlGaN epilayer deposition is evaluated. An AlGaN epilayer with favourable surface morphology and crystal quality is deposited on a 20 nm low-temperature-deposited AlN buffer at a low V/III flow ratio of 783 and at a low reactor pressure of 100 Torr, and the adduct reaction between trimethylaluminium and NH3 is considered.

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.

Correlation between optical and structural properties of (Al,Ga)N layers grown by MOCVD

For both, (Al,Ga)N with low Al content grown on a GaN nucleation layer and (AI,Ga)N with high Al content gown on an AlN nucleation layer, the inhomogeneous distribution of the luminescence is linked to the distribution of defects, which may be due to inversion domains. In the former system, defect regions exhibit a much lower Al content than the nominal one leading to a splitting of the respective luminescence spectra. In the latter system, a domain-like growth is observed with a pyramidal surface morphology and non-radiative recombination within the domain boundaries. (c) 2007 WILEYNCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of Al incorporation on the AlGaN growth by metalorganic chemical vapor deposition

The effect of Al incorporation on the AlGaN growth by metalorganic chemical vapor deposition is investigated. With the increase of trimethylalluminum (TMAl) flux, the crystal quality becomes worse, and the epilayer surface becomes rougher. An interesting phenomenon is that the growth rate of AlGaN decrease with increasing TMAl flux, which is opposite to the AlN growth rate dependence on the TMAl flux. All these effects are attributed to the different properties of At atoms due to the higher bond strength of Al-N compared with Ga-N, which lead to lower surface mobility and stronger competitive ability of Al atoms during the growth. The enhancement of the surface mobility of Al is especially important for improving the quality of AlGaN. (c) 2006 Elsevier B.V. All rights reserved.

Influence of AlN interfacial layer on electrical properties of high-Al-content Al0.45Ga0.55N/GaN HEMT structure

Unintentionally doped high-Al-content Al0.45Ga0.55N/GaN high electron mobility transistor (HEMT) structures with and without AlN interfacial layer were grown by metal-organic chemical vapor deposition (MOCVD) on two-inch sapphire substrates. The effects of AlN interfacial layer on the electrical properties were investigated. At 300 K, high two-dimensional electron gas (2DEG) density of 1.66 x 10(11) cm(-2) and high electron mobility of 1346 cm(2) V-1 s(-1) were obtained for the high Al content HEMT structure with a 1 nm AlN interfacial layer, consistent with the low average sheet resistance of 287 Omega/sq. The comparison of HEMT wafers with and without AlN interfacial layer shows that high Al content AlGaN/AlN/GaN heterostructures are potential in improving the electrical properties of HEMT structures and the device performances. (c) 2006 Elsevier B.V. All rights reserved.

The effects of LT AlN buffer thickness on the properties of high Al composition AlGaN epilayers

To fabricate nitride-based ultraviolet optoelectronic devices, a deposition process for high-Al-composition AlGaN (Al content > 50%) films with reduced dislocation densities must be developed. This paper describes the growth of high-Al-composition AlGaN film on (0001) sapphire via a LT AIN nucleation layer by low pressure metalorganic chemical vapor deposition (LPMOCVD). The influence of the low temperature AIN buffer layer thickness on the high-Al-content AlGaN epilayer is investigated by triple-axis X-ray diffraction (TAXRD), scanning electron microscopy (SEM), and optical transmittance. The results show that the buffer thickness is a key parameter that affects the quality of the AlGaN epilayer. An appropriate thickness results in the best structural properties and surface morphology. (c) 2006 Elsevier B.V. All rights reserved.