Accurate screened exchange band structures for the transition metal monoxides MnO, FeO, CoO and NiO.

We report calculations of the band structures and density of states of the four transition metal monoxides MnO, FeO, CoO and NiO using the hybrid density functional sX-LDA ('screened exchange local density approximation'). Late transition metal oxides are prototypical examples of strongly correlated materials, which pose challenges for electronic structure methods. We compare our results with available experimental data and show that our calculations generally yield accurate predictions for the fundamental band gaps and valence bands, in favourable agreement with previously reported theoretical studies. For MnO, the band gaps are still underestimated, suggesting additional many-body effects that are not captured by our screened hybrid functional approach.

New approaches to materials education

A novel approach to the teaching of material to engineering students is outlined. It starts from the overview of the "world" of materials made possible by material property charts, and develops both an understanding of material properties and skills in selecting materials and processes to meet design specifications. It is supported by extensive computerbased methods and tools, and is well adapted both for elementary and for advanced courses. © 2003 by Granta Design Limited. Published by the American Institute of Aeronautics and Astronautics, Inc.

Characterizing the class of local metal sheet thickening processes

The need to create high-value products for specialist applications, and the search for efficient forming routes that obviate the need for some machining steps, is driving Interest In a novel class of forming processes aiming to create locally thickened features within sheet work- pieces. A number of novel forming processes have been proposed to meet this need, but it is as yet unclear which processes will be most effective in creating local thickening of various geometries, and many process configurations have yet to be tried. This paper aims to provide some basic principles for designing and characterising process behaviour. A simplified generic description of sheet thickening processes is provided, with two tools of variable operating on a sheet workpiece in plane strain, with different tool separations and motions parameterised. A comprehensive numerical study of the behaviour of this class of processes is conducted in Abaqus to predict the main characteristics of the material flow in each configuration. The results are used to classify the different basic behaviours that can be achieved by the sheet-bulk thickening processes and to give guidance on future process development, capability and applicability. © 2011 Wiley-VCH Verlag GmbH & Co. KGaA. Weinheim.

Atom probe tomography for advanced metallization

In microelectronics, the increase in complexity and the reduction of devices dimensions make essential the development of new characterization tools and methodologies. Indeed advanced characterization methods with very high spatial resolution are needed to analyze the redistribution at the nanoscale in devices and interconnections. The atom probe tomography has become an essential analysis to study materials at the nanometer scale. This instrument is the only analytical microscope capable to produce 3D maps of the distribution of the chemical species with an atomic resolution inside a material. This technique has benefit from several instrumental improvements during last years. In particular, the use of laser for the analysis of semiconductors and insulating materials offers new perspectives for characterization. The capability of APT to map out elements at the atomic scale with high sensitivity in devices meets the characterization requirements of semiconductor devices such as the determination of elemental distributions for each device region. In this paper, several examples will show how APT can be used to characterize and understand materials and process for advanced metallization. The possibilities and performances of APT (chemical analysis of all the elements, atomic resolution, planes determination, crystallographic information...) will be described as well as some of its limitations (sample preparation, complex evaporation, detection limit, ...). The examples illustrate different aspect of metallization: dopant profiling and clustering, metallic impurities segregation on dislocation, silicide formation and alloying, high K/metal gate optimization, SiGe quantum dots, as well as analysis of transistors and nanowires. © 2013 Elsevier B.V. All rights reserved.

Development of high-k gate dielectric materials

The traditional gate dielectric material Of SiO2 can not satisfy the need of the continuous downscaling of CMOS dimensions. High-K gate dielectric materials have attracted extensive research efforts recently and obtained great progress. In this paper, the developments of high-K gate materials were reviewed. Based on the author's background and research work in the area, the latest achievements of high-K gate dielectric materials on the recrystalization temperature, the low-K interface layer, and the dielectric breakdown and metal gate electrode were introduced in detail.

Synthesis and characterization of well-aligned Zn1-xMgxO nanorods and film by metal organic chemical vapor deposition

Well-aligned Zn1-xMgxO nanorods and film with Mg-content x from 0 to 0.051 have been successfully synthesized by metal organic chemical vapor deposition (MOCVD) without any catalysts. The characterization results showed that the diameters and lengths of the nanorods were in the range of 20-80 nm and 330-360 nm, which possessed wurtzite structure with a c-axis growth direction. As the increase of Mg precursor flows into the growth chamber, the morphology of Zn1-xMgxO evolves from nanorods to a film with scale-like surface and the height of the nanorods and the film was almost identical, it is suggested that the growth rate along the c-axis was hardly changed while the growth of six equivalent facets of the type {1 0 (1) over bar 0} of the Zn1-xMgxO has been improved. Photoluminescence and Raman spectra show that the products have a good crystal quality with few oxygen vacancies. With the Mg incorporation, multiple-phonon scattering become weak and broad, and the intensities of all observed vibrational modes decrease. And the ultraviolet near-band-edge emission shows a clear blueshift (x=0.051, as much as 90 meV) and slightly broadening compared with that of pure ZnO nanorods. (C) 2008 Elsevier B.V. All rights reserved.

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 nitrogen annealing on electrical properties of lead zirconate titanate thin film deposited on titanium metal foil

We report on improved electrical properties of lead zirconate titanate (PZT) film deposited on titanium metal foil using nitrogen annealing. After nitrogen annealing of the PZT capacitors, symmetric capacitance-voltage (C-V) characteristics, higher dielectric constant and breakdown field, less change of dielectric constant with frequency, lower dielectric loss and leakage current are obtained. (C) 2003 Elsevier B.V. All rights reserved.

Stress reduction in GaN films on (111) silicon-on-insulator substrate grown by metal-organic chemical vapor deposition

The GaN film was grown on the (111) silicon-on-insulator (SOI) substrate by metal-organic chemical vapor deposition and then annealed in the deposition chamber. A multiple beam optical stress sensor was used for the in-situ stress measurement, and X-ray diffraction (XRD) and Raman spectroscopy were used for the characterization of GaN film. Comparing the characterization results of the GaN films on the bulk silicon and SOI substrates, we can see that the Raman spectra show the 3.0 cm(-1) frequency shift of E-2(TO), and the full width at half maximum of XRD rocking curves for GaN (0002) decrease from 954 arc see to 472 are sec. The results show that the SOI substrates can reduce the tensile stress in the GaN film and improve the crystalline quality. The annealing process is helpful for the stress reduction of the GaN film. The SOI substrate with the thin top silicon film is more effective than the thick top silicon film SOI substrate for the stress reduction. (C) 2007 Elsevier B.V. All rights reserved.

Stress evolution influenced by oxide charges on GaN metal-organic chemical vapor deposition on silicon-on-insulator substrate

GaN epilayers have been deposited on silicon-on-insulator (SOI) and bulk silicon substrates. The stress transition thickness and the initial compressive stress of a GaN epilayer on the SOI substrate are larger than those on the bulk silicon substrate, as shown in in situ stress measurement results. It is mainly due to the difference of the three-dimensional island density and the threading dislocation density in the GaN layer. It can increase the compressive stress in the initial stage of growth of the GaN layer, and helps to offset the tensile stress generated by the lattice mismatch.

Improved field emission properties from metal-coated diamond films

Diamond films were prepared by microwave plasma chemical vapor deposition (MWPCVD). In order to obtain better field emission properties, the samples coated with different metals were prepared. The results showed that the field emission properties of diamond coated with metals could be greatly improved in comparison to pure diamond film and the different kinds of coated metals have different influences on the field emission properties. The possible reasons of effects on the field emission properties are discussed, which were probably due to the reduced effective surface work function by metal coatings; but the detail of the mechanism should be studied further. The surface morphology and microstructure of the sample were characterized by Atomic Force Microscope (AFM), X-ray photoelectron spectroscopy (XPS), X-ray Diffraction (XRD) and Raman spectrum tests. (c) 2006 Elsevier B.V. All rights reserved.

GaN1-xPx ternary alloys with high P composition grown by metal-organic chemical vapor deposition

GaN1-xPx ternary alloys with high P compositions were deposited on sapphire substrates by means of metal-organic chemical vapor deposition. Depth profiles of the elements indicate that the maximum P/N composition ratio is about 17% and a uniform distribution of the P atoms in the alloys is achieved. 2theta/omega XRD spectra demonstrate that the (0002) peak of the GaN1-xPx alloys shifts to smaller angle with increasing P composition. From the photoluminescence (PL) spectra, the red shifts to the bandedge emission of GaN are determined to be 73, 78, 100 and 87 meV for the GaN1-xPx alloys with the P/N composition ratios of 3%, 11%, 15% and 17%, respectively. No PL peak related to GaP is observed, indicating that the phase separation between GaN and GaP is well suppressed in our GaN1-xPx samples. (C) 2003 Elsevier Science B.V. All rights reserved.

Exploration on enhancing innovation capability of functional information materials in China

The present status and future prospects of functional information materials, mainly focusing on semiconductor microstructural materials, are introduced first in this paper. Then a brief discussion how to enhance the academic level and innovation capability of research and development of functional information materials in China are made. Finally the main problems concerning the studies of materials science and technology are analyzed, and possible measures for promoting its development are proposed.

New progress of studies on semiconductor materials

This paper is a review of research and development on semiconductor materials, which covers main scientific activities in this field. The present status acid future prospects of studies on semiconductor materials, such as silicon crystals, GaAs related III-V compound semiconductor materials and GaAs, InP and silicon based quantum well and superlattice materials, quantum wires and quantum dots materials, microcavity and photonic crystals, materials for quantum computation and wide band gap materials, are briefly discussed.

High-performance 980-nm quantum-well lasers using a hybrid material system of an Al-free InGaAs-InGaAsP active region and AlGaAs cladding layers grown by metal-organic chemical vapor deposition

We report on the material growth and fabrication of high-performance 980-nm strained quantum-well lasers employing a hybrid material system consisting of an Al-free InGaAs-InGaAsP active region and AlGaAs cladding layers. The use of AlGaAs cladding instead of InGaP provides potential advantages in flexibility of laser design, simple epitaxial growth, and improvement of surface morphology and laser performance. The as-grown InGaAs-InGaAsP(1.6 eV)-AlGaAs(1.95 eV) lasers achieve a low threshold current density of 150 A/cm(2) (at a cavity length of 1500 mu m), internal quantum efficiency of similar to 95%, and low internal loss of 1.8 cm(-1). Both broad-area and ridge-waveguide laser devices are fabricated. For 100-mu m-wide stripe lasers with a cavity length of 800 Irm, a slope efficiency of 1.05 W/A and a characteristic temperature coefficient (T-0) of 230 K are achieved. The lifetime test demonstrates a reliable performance. The comparison with our fabricated InGaAs-InGaAsP(1.6 eV)-AlGaAs(1.87 eV) lasers and Al-free InGaAs-InGaAsP (1.6 eV)-InGaP lasers are also given and discussed. The selective etching between AlGaAs and InGaAsP is successfully used for the formation of a ridge-waveguide structure. For 4-mu m-wide ridge-waveguide laser devices, a maximum output power of 350 mW is achieved. The fundamental mode output power can be up to 190 mW with a slope efficiency as high as 0.94 W/A.