Rapid Electron Beam Reacted Tantalum/Titanium Bilayers on Silicon : Semiconductors and Semiconductor Devices

The electrical and structural characteristics of tantalum-titanium bilayers on silicon reacted by electron beam heating have been investigated over a wide range of temperature and time conditions. The reacted layers exhibit low sheet resistance and stable electrical characteristics up to at least 1100℃. Titanium starts reacting from 750℃ onwards for 100 milliseconds reaction times whereas tantalum starts reacting only above 900℃ for such short reaction times. RBS results confirm that silicon is the major diffusing species and there is no evidence for the formation of ternary silicides. Reactions have also been explored on millisecond time scales by non-isothermal heating.

Optical properties of silicon rich oxides

Thermally treated silicon rich oxides (SRO) used as starting material for the fabrication of silicon nanodots represent the basis of tunable bandgap nanostructured materials for optoelectronic and photonic applications. The optical modelization of such materials is of great interest, as it allows the simulation of reflectance and transmittance (R&T) spectra, which is a powerful non destructive tool in the determination of phase modifications (clustering, precipitation of new phases, crystallization) upon thermal treatments. In this paper, we study the optical properties of a variety of as-deposited and furnace annealed SRO materials. The different phases are treated by means of the effective medium approximation. Upon annealing at low temperature, R&T spectra show the precipitation of amorphous silicon nanoparticles, while the crystallization occurring at temperatures higher than 1000 °C is also clearly identified, in agreement with structural results. The existing literature on the optical properties of the silicon nanocrystals is reviewed, with attention on the specificity of the compositional and structural characteristics of the involved material. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nature of the electronic band gap in lanthanide oxides

Accurate electronic structures of the technologically important lanthanide/rare-earth sesquioxides (Ln2O3, with Ln=La, ⋯,Lu) and CeO2 have been calculated using hybrid density functionals HSE03, HSE06, and screened exchange (sX-LDA). We find that these density functional methods describe the strongly correlated Ln f electrons as well as the recent G0W0@LDA+U results, generally yielding the correct band gaps and trends across the Ln period. For HSE, the band gap between O 2p states and lanthanide 5d states is nearly independent of the lanthanide, while the minimum gap varies as filled or empty Ln 4f states come into this gap. sX-LDA predicts the unoccupied 4f levels at higher energies, which leads to a better agreement with experiments for Sm2O 3, Eu2O3, and Yb2O3. © 2013 American Physical Society.

Dopant compensation in HfO2 and other high K oxides

The theory of doping limits in semiconductors and insulators is applied to the case of wide gap oxides, crystalline, or amorphous, and used to explain that impurities do not in general give rise to gap states or a doping response. Instead, the system tends to form defect complexes or undergo symmetry-lowering reconstructions to expel gap states out of the band gap. The model is applied to impurities, such as trivalent metals, carbon, N, P, and B, in HfO2, the main gate dielectric used in field effect transistors. © 2014 AIP Publishing LLC.

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]

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.

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.

A density-functional study of small titanium clusters

The atomic structures and electronic properties of small Ti-N (N=2-10) clusters have been studied by using the density-functional theory with a local spin density approximation. We find that the inner-shells (3s3p) of the titanium atom plays an important role in the formation of the small clusters. We have obtained the ground state of titanium clusters, Ti-7 is found to be a magic cluster, which is in good agreement with the experimental results. Starting with Ti-8 cluster some features of the electronic structure of the titanium bulk have been developed. The ionization potentials and magnetic moments for these small titanium clusters are also presented. (C) 2000 American Institute of Physics. [S0021- 9606(00)30544-X].

Influence of Fe3+ on perovskite oxides: La2/3Ca1/3Mn1-xFexO3

The structure and magnetoresistance properties in sintered samples of La-2/3 Ca-1/3 Mn1-x FexO3 (0 less than or equal to x less than or equal to 0.84) are studied by using Mossbauer spectroscopy, XRD and magnetic measurement. There are antiferromagnetic interactions between Fe and its nearest neighbors (Fe, Mn) when 0 less than or equal to x less than or equal to 0.67, which are important factors influencing the double-exchange between Mn3+ and Mn4+, Curie temperature, magnetic moment and GMR. It is suggested that the Mn3+(Fe3+)/Mn4+ system also consists of magnetic clusters with different sizes.

Influence of fluorine on radiation-induced charge trapping in the SIMOX buried oxides

Charge trapping in the fluorinated SIMOX buried oxides before and after ionizing radiation has been investigated by means of C-V characteristics. Radiation-induced positive charge trapping which results in negative shift of C-V curves can be restrained by implanting fluorine ions into the SIMOX buried oxides. Pre-radiation charge trapping is suppressed in the fluorinated buried oxides. The fluorine dose and post-implantation anneal time play a very important role in the control of charge trapping.

Synthesis Gas Generation by Chemical-Looping Reforming Using Ce-Based Oxygen Carriers Modified with Fe, Cu, and Mn Oxides

Chemical-looping reforming (CLR) is a technology that can be used for partial oxidation and steam reforming of hydrocarbon fuels. It involves the use of a metal oxide as an oxygen carrier, which transfers oxygen from combustion air to the fuel. Composite oxygen carriers of cerium oxide added with Fe, Cu, and Mn oxides were prepared by co-precipitation and investigated in a thermogravimetric analyzer and a fixed-bed reactor using methane as fuel and air as oxidizing gas. It was revealed that the addition of transition-metal oxides into cerium oxide can improve the reactivity of the Ce-based oxygen carrier. The three kinds of mixed oxides showed high CO and H-2 selectivity at above 800 degrees C. As for the Ce-Fe-O oxygen carrier, methane was converted to synthesis gas at a H-2/CO molar ratio close to 2:1 at a temperature of 800-900 degrees C; however, the methane thermolysis reaction was found on Ce-Cu-O and Ce-Mn-O oxygen carriers at 850-900 degrees C. Among the three kinds of oxygen carriers, Ce-Fe-O presented the best performance for methane CLR. On Ce-Fe-O oxygen carriers, the CO and H-2 selectivity decreased as the Fe content increased in the carrier particles. An optimal range of the Ce/Fe molar ratio is Ce/Fe > 1 for Ce-Fe-O oxygen carriers. Scanning electron microscopy (SEM) analysis revealed that the microstructure of the Ce-Fe-O oxides was not dramatically changed before and after 20 cyclic reactions. A small amount of Fe3C was found in the reacted Ce-Fe-O oxides by X-ray diffraction (XRD) analysis.

CHARACTERISTICS OF OXIDES FORMED FROM A SI0.5GE0.5

X-ray photoelectron spectroscopy (XPS) combined with Auger electron spectroscopy (AES) have been used to study the oxides from a Si0.5Ge0.5 alloy grown by molecular beam epitaxy (MBE). The oxidation was performed at 1000 degrees C wet atmosphere. The oxide consists of two layers: a mixed (Si,Ge)O-x layer near the surface and a pure SiOx layer underneath. Ge is rejected from the pure SiOx and piles up at the SiOx/SiGe interface. XPS analysis demonstrates that the chemical shifts of Si 2p and Ge 3d in the oxidized Si0.5Ge0.5 are significantly larger than those in SiO2 and GeO2 formed from pure Si and Ge crystals.