Physical and Chemical Properties of TiOxNy Prepared by Low-Temperature Oxidation of Ultrathin Metal Nitride Directly Deposited on SiO2

Physical and chemical properties of titanium oxynitride （TiOxNy ） formed by low-temperature oxidation of titanium nitride （TIN） layer are investigated for advanced metal-oxide-semiconductor （MOS） gate dielectric application. TiOxNy exhibits polycrystalline properties after the standard thermal process for MOS device fabrication, showing the preferred orientation at [200]. Superior electrical properties of TiOxNy can be maintained before and after the annealing, probably due to the nitrogen incorporation in the oxide bulk and at the interface. Naturally formed transition layer between TiOxNy and SiO2 is also confirmed.     

Determination of the Surface Tension of Liquid Fe77.5Cu13Mo9.5 Ternary Monotectic Alloy

Thermophysical properties of undercooled liquid monotectic alloys are usually difficult to be determined because of the great dittlculty in achieving large undercoolings. We measure the surface tension of liquid Fe77.5 Cu13Mo9.5 monotectic alloy by an electromagnetic oscillating drop method over a wide temperature range from 1577 to 1784 K, including both superheated and undercooled states. A good linear relationship exists between the surface tension and temperature. The surface tension value is 1.588 N/m at the monotectic temperature of 1703K, and its temperature coefficient is -3.7 × 10^-4 Nm^-1 K^-1. Based on the Butler equation, the surface tension is also calculated theoretically. The experimental and calculated results indicate that the effect of the enriched element on droplet surface is much more conspicuous than the other elements to decrease the surface tension.     

Electronic Structure and Optical Properties of La-Doped SrTiO3 and Sr2TiO4 by Density Function Theory

The effect of La doping on the electronic structure and optical properties of SrTiO₃ and Sr₂TiO₄ is investigated by the first-principles calculation of plane wave ultrasoft pseudopotential based on the density function theory (DFT). The calculated results reveal that the electron doping in the case of Sr_0.875La_0.125TiO₃ and Sr_1.875La_0.125TiO₄ can be described within the rigid band model. The La³⁺ ions fully acts as electron donors in Sr_0.875La_0.125TiO₃ and Sr_1.875La_0.125TiO₄ systems and the Fermi level shifts further into the conduction bands (CBs) for Sr_1.875La_0.125TiO₄ compared to Sr_0.875La_0.125TiO₃. The two systems exhibit n-type degenerate semiconductor features. At the same time, the density of states (DOS) of the two systems shift towards low energies and the optical band gaps are broadened. The Sr_1.875La_0.125TiO₄ is highly transparent with the transmittance about 90% in the visible range, which is larger than that of Sr_0.875La_0.125TiO₃(85%). The wide band gap, small transition probability and weak absorption due to the low partial density of states (PDOS) of impurity in the Fermi level result in the optical transparency of the films...     

Transport Behaviour of La0.8Sr0.2AlO3 Thin Film on Oxygen Deficient SrTiO3 Substrate

La_0.8Sr_0.2AlO₃ (LSAO) thin films are grown on SrTiO₃ (STO) and MgO substrates by laser molecular beam epitaxy. The LSAO thin film on oxygen deficient STO substrate exhibits metallic behaviour over the temperature range of 80--340K. The optical transmittance spectrum indicates that theLSAO thin films on MgO substrate are insulating at room temperature. The transport properties of LSAO thin films on STO substrates deposited in different oxygen pressure are compared. Our results indicate that oxygen vacancies in STO substrates should be mainly responsible for the transport behaviour of LSAO thin films.     

Clockwise vs Counter-Clockwise I-V Hysteresis of Point-Contact Metal-Tip/Pr0.7 Ca0.3MnO3/Pt Devices

Metal-tip/Pr0.7Ca0.3MnO3/Pt devices possess two types of I-V hysteresis： clockwise vs counter clockwise depending on the tip materials. The criteria for categorization of these two types of devices can be simply based on whether the Gibbs free energy of oxidation for the metal tip is lower or higher than that of PCMO, respectively. While the clockwise hysteresis can be attributed to electric field induced oxidation/reduction, the counter clockwise hysteresis can be explained by oxygen vacancy migration in an electrical field. Alternating-current conductance spectra also reveal distinct hopping barriers between these two categories of devices at high resistive states.     

Cs^＋-K^＋ Exchange in Z-Cut KTiOPO4 Crystal Covered with Chromium Masking Layer

Cs^＋-K^＋ ion exchanges are performed on z-cut KTiOPO4 crystals with chromium coating covered. The temperature of ion exchange is 430℃, and the time range from 15min to 30min. The dark mode spectra of the samples are measured by the prism coupling method. The channel structures on the samples are observed by a microscope and the near field pattern of the channel waveguides are measured by the end-fire coupling method. The refractive index of the samples increases and the increments at surface are modulated due to the existence of Cr film. In the region covered by Cr film, the refractive index of the samples at the surface increases dramatically in a shallow layer. The results of energy dispersive x-ray spectra indicate that in the region covered with Cr film, Cr ions participate in the ion exchange process, and enhance the refractive index. The results may provide a possibility that achieves index enhancement and Cr doping synchronically.     

Theoretical Study of Interesting Fine-Structure Splittings for 23P0, 1, 2 States along Helium Isoelectronic Sequence

Using the multi-configuration Dirac Fock method including the Breit interactions and QED corrections, we calculate the fine-structure energy levels of the 2^3 Po, 1,2 states along the helium isoelectronic sequence with atomic number up to Z = 36, where LS-coupling is appropriate. Our calculation results agree with the experimental results within about 1%. We elucidate the mechanism of the interesting fine-structure splittings for the 2^3Po,1,2 states along the helium isoelectronic sequence, i.e. the competitions between the spin-orbit interactions and the Breit interactions which represent the relativistic retardation effect of electromagnetic interactions.     

Correlation between Light Emissions from Amorphous-Si：H/SiO2 and nc-Si/SiO2 Multilayers

We investigate the properties of light emission from amorphous-Si：H/SiO2 and nc-Si/SiO2 multilayers （MLs）. The size dependence of light emission is well exhibited when the a-Si：H sublayer thickness is thinner than 4 nm and the interface states are well passlvated by hydrogen. For the nc-Si/Si02 MLs, the oxygen modified interface states and nanocrystalline silicon play a predominant role in the properties of light emission. It is found that the light emission from nc-Si/SiO2 is in agreement with the model of interface state combining with quantum confinement when the size of nc-Si is smaller than 4 nm. The role of hydrogen and oxygen is discussed in detail.     

High-Temperature Characteristics of Ti/Al/Ni/Au Ohmic Contacts to n-GaN

We present the high-temperature characteristics of Ti/Al/Ni/Au（15 nm/220 nm/40 nm/50 nm） multiplayer contacts to n-type GaN （Nd = 3.7 × 10^17 cm^-3, Nd = 3.0 × 10^18 cm^-3）. The contact resistivity increases with the measurement temperature. Furthermore, the increasing tendency is related to doping concentration. The higher the doped, the slower the contact resistivity with decreasing measurement temperature. Ti/Al/Ni/Au ohmic contact to heavy doping n-GaN takes on better high temperature reliability. According to the analyses of XRD and AES for the n-GaN/Ti/Al/Ni/Au, the Au atoms permeate through the Ni layer which is not thick enough into the AI layer even the Ti layer.     

Superconductivity in Hole-Doped （S1-xKx）Fe2As2

A series of layered （Sr1-xKx）Fe2As2 compounds with nominal x = 0-0.40 are synthesized by solid state reaction method. Similar to other parent compounds of iron-based pnictide superconductors, pure SrFe2As2 shows a strong resistivity anomaly near 210 K, which was ascribed to the spin-density-wave instability. The anomaly temperature is much higher than those observed in LaOFeAs and BaFe2As2, the two prototype parent compounds with ZrCuSiAs- and ThCr2Si2-type structures. K-doping strongly suppresses this anomaly and induces superconductivity. Like in the case of K-doped BaFe2As2, sharp superconducting transitions at Tc ～ 38 K is observed. We perform the Hall coefficient measurement, and confirm that the dominant carriers are hole-type. The carrier density is enhanced by a factor of 3 in comparison to F-doped LaOFeAs superconductor.     

Adsorption and Reaction of CO on （100） Surface of SrTiO3 by Density Function Theory Calculation

Adsorption and reaction of CO on two possible terminations of SrTiO3 （100） surface are investigated by the first-principles calculation of plane wave ultrasoft pseudopotentiai based on the density function theory. The adsorption energy, Mulliken population analysis, density of states （DOS） and electronic density difference of CO on SrTiO3 （100） surface, which have never been investigated before as far as we know are performed. The calculated results reveal that the Ti-CO orientation is the most stable configuration and the adsorption energy （0.449eV） is quite small. CO molecules adsorb weakly on the SrTiO3 （100） surface, there is predominantly electrostatic attraction between CO and the surface rather than a chemical bonding mechanism.     

Element Substitution Effect in Transition Metal Oxypnictide Re(O1-xFx)TAs (Re=rare earth, T=transition metal)

Different element substitution effects in transition metal oxypnictide Re(O_1-xF_x)TAs, with Re=La, Ce, Nd, Eu, Gd, Tm, T=Fe, Ni, Ru, are studied. Similarto the La- or Ce-based systems, we find that the pure NdOFeAs shows a strong resistivity anomaly near 145K, which is ascribed to the spin-density-wave instability. Electron doping by F increases T_c to about 50K. While in the case of Gd, Tc is reduced below 10K. The tetragonal ZrCuSiAs-type structure could not be formed for Eu or Tm substitution in our preparing process. For the Ni-based case, although both pure and F-doped LaONiAs are superconducting, no superconductivity is found when La is replaced by Ce in both the cases, instead a ferromagnetic ordering transition is likely to form at low temperature in the undoped sample. We also synthesize LaO_1-xF_xRuAs and CeO_1-xF_xRuAs compounds. The metallic behaviour is observed down to 4K.     

Effect of TiO2 Nanotubes on Polymer-Fullerene Bulk Heterojunction Solar Cells

We investigate the photovoltaic properties of hybrid organ/c solar cell based on the blend of poly[2-methoxy-5-（2- ethylhexoxy-l,4-phenylenevinylene） （MEH-PPV）, C60 and titanium dioxide （TiO2） nanotubes. In comparison of the composite devices with different TiO2：[MEH-PPV ＋C60] weight ratios of lw$.% （D1-1）, 2wt.% （D1-2）, 3wt.% （D1-3）, 5wt.% （D1-4）, 10wt.% （D1-5） and 20wt.% （D1-6）, it is found that the device Dl-a exhibits the best performance. The conversion efficiency is improved by a factor of 3 compared with the MEH-PPV：C60 device.     

Influence of Ytterbia Content on Residual Stress and Microstructure of Y2O3--ZrO2 Thin Films Prepared by EB-PVD

Y2O3 stabilized ZrO2 （YSZ） thin films with different Y2O3 molar contents （0, 3, 7, and 12 mol%） are deposited on BK7 substrates by electron-beam evaporation technique. The effects of different Y2O3 contents on residual stresses and structures of YSZ thin films are studied. Residual stresses are investigated by means of two different techniques： the curvature measurement and x-ray diffraction method. It is found that the evolution of residual stresses of YSZ thin films by the two different methods is consistent. Residual stresses of films transform from compressive stress into tensile stress and the tensile stress increases monotonically with the increase of Y2O3 content. At the same time, the structures of these films change from the mixture of amorphous and monoclinic phases into high temperature cubic phase. The variations of residual stress correspond to the evolution of structures induced by adding of Y2O3 content.     

An Artificially Garnet Crystal Materials Using In Terahertz Waveguide

A hypothesis is brought forward that the materials with low propagation loss in both optical and microwave band may exhibit good performance in terahertz （THz） band because THz wave band interspaces those two wave bands. For the purpose-of exploring a kind of low-loss material for THz waveguide, Lu2.1Bi0.9Fe5O12（LuBiIG） garnet films are prepared by liquid phase epitaxy （LPE） method on a gadolinium gallium garnet （GGG） substrate from lead-free flux because of the good properties in both optical and microwave bands. In microwave band, the ferromagnetic resonance （FMR） linewidth of the film 2△H = 2.8-5.1Oe; in optical band, the optical absorption coefficient is 600cm^-1 at visible range and about 100-170cm^-1 when the wavelength is longer than 800nm. In THz range, our hypothesis is well confirmed by a THz-TDS measurement which shows that the absorbance of the film for THz wave is 0.05-0.3 cm 1 and the minimum value appears at 2.3 THz. This artificial ferromagnetic material holds a great promise for magnetic field tunable THz devices such as waveguide, modulator or switch.     

ZrN-ZrB2纳米复合材料的高压制备及性能表征

 以金属锆粉（Zr）和六方氮化硼粉（h-BN）为原料,结合高能球磨和高温高压合成技术,制备出了ZrN-ZrB₂纳米复合材料。利用X射线衍射、透射电镜和拉曼光谱等测试手段,对材料的结构和合成规律进行了研究。结果表明,高能球磨过程中只合成出了ZrN_x,没有出现ZrB₂,从N、B原子与Zr进行固态反应的热力学和动力学方面分析了原因。利用Zr与BN粉球磨10 h后的混料,在压力为5 GPa、温度为1 300 ℃的条件下,制备出了具有高致密度的ZrN-ZrB₂纳米复合材料。其维氏显微硬度（17 GPa）、热膨胀系数（7.57×10^-6 ℃^-1）和电阻率-温度系数（8.846×10^-4 ℃^-1）等材料参数的测量结果表明,ZrN-ZrB₂复合材料是一种集优良的力学、热学和电学性能于一体的纳米复合材料。     

Effect of Zn substitution for Co on the transport properties of Y BaCo4O7

Electrical resistivity and Seebeck coefficients of Y BaCo_4−xZn_xO₇ (x=0.0,0.5,1.0,2.0) were investigated in the temperature range 350-1000 K. It was found that the electrical resistivity and activation energy increase with increasing Zn concentration, while Seebeck coefficients do not increase but decrease when electrical resistivity increases. We explained the increase of electrical resistivity and the drop of Seebeck coefficients for Zn-substituted samples by the decrease of carrier mobility, rather than of carrier concentration. The effect of oxygen absorption and desorption on the electrical resistivity and Seebeck coefficients was also investigated. An abrupt change of transport properties happens at about 650 K for x=0.0 and 0.5 samples measured in oxygen. For x=1.0 and 2.0 samples, however, such change disappears and the transport behavior in oxygen is almost same as that in nitrogen due to the significant suppression of oxygen diffusion caused by the higher Zn concentration in these samples.     

A Kilowatt Radio-Frequency Excited Diffusively Cooled All-Metal Slab Waveguide CO2 Laser

A new type of rf excited diffusively cooled all-metal slab waveguide CO2 laser is presented, in which the waveguide channel is constructed by two copper side walls and two copper electrodes, and the discharge is confined in the slab waveguide channel in terms of the voltage division structure. From this type of structure, over 1 kW laser power is obtained with an efficieney of more than 13%.     

Electrical properties of thin films of Eu2O3 substituted compounds

Europium oxide (Eu₂O₃) substituted compound has been prepared by solid-solid reaction of the powders of Eu₂O₃, BaCO₃ and CuO at 950°C for 16 hours. The thin films have been deposited by high vacuum evaporation technique (vacuum ≈ 10⁻⁶ torr). The variation of current (I) with voltage (V) at room temperature (RT) i.e. 294 K and in ice (273 K) are found to be linear. The variation of electrical resistivity (ρ) with temperature (T) by heating the sample above RT has been determined. Resistivity is found to decrease with increase in temperature. Further the variation of electrical resistivity (ρ) with temperature (T) from 77 K, liquid nitrogen temperature (LNT), to 270 K has also been determined. It is observed that resistivity suddenly becomes zero at around 87 K. Thus the prepared material has superconducting properties with superconducting transition temperature, T _c at 87 K.      

Chemical Synthesis of C3N and BC2N Compounds

A chemical reaction for the preparation of B-C-N compounds by using carbon tetrachloride （CC14）, boron tribromide （BBr3）, lithium nitride （Li3N） and sodium as reactants has been carried out at the temperature of 400℃. Measurements of FTIR, XRD, TEM and EELS show that two kinds of compounds have been formed in the prepared sample. One is hollow sphere-like C-N with an amorphous, structure; the other is piece-like polycrystalline B-C-N with the hexagonal structure. Their determined compositions are close to C3N and BC2N, respectively.