First-principles calculations of electronic structures and absorption spectra of YAlO3 crystals with F center

National Nature Science Foundation of China (Grant No. 60607015)

Computer simulation of intrinsic defects in YAlO3 single crystal

National Nature Science Foundation of China (Grant No. 60607015)

Influence of oxygen plasma treatment on properties of ZrO2 films prepared by e-beam evaporation techniques

Zirconia films were prepared by e-beam evaporation, and oxygen plasma treatment was used to modify film properties. Spectrophotometry, x-ray diffractometry (XRD), and atomic force microscopy were used to characterize refractive index, extinction coefficient, rnicrostructure, and surface roughness, respectively. The experimental results indicate that both refractive index and extinction coefficient of the films were reduced slightly after oxygen plasma treatment, with the decrease of intrinsic stress and surface roughness. From XRD spectra, the intensity decrease of the T(110) diffraction peak was clearly observed after the treatment, which was caused by the restructuring of the film atoms. (C) 2008 Elsevier Ltd. All rights reserved.

Influences of CO2 laser annealing on mechanical and laser-induced damage properties of ZrO2 thin films

Zirconium dioxide (ZrO2) thin films were deposited on BK7 glass substrates by the electron beam evaporation method. A continuous wave CO2 laser was used to anneal the ZrO2 thin films to investigate whether beneficial changes could be produced. After annealing at different laser scanning speeds by CO2 laser, weak absorption of the coatings was measured by the surface thermal lensing (STL) technique, and then laser-induced damage threshold (LIDT) was also determined. It was found that the weak absorption decreased first, while the laser scanning speed is below some value, then increased. The LIDT of the ZrO2 coatings decreased greatly when the laser scanning speeds were below some value. A Nomarski microscope was employed to map the damage morphology, and it was found that the damage behavior was defect-initiated both for annealed and as-deposited samples. The influences of post-deposition CO2 laser annealing on the structural and mechanical properties of the films have also been investigated by X-ray diffraction and ZYGO interferometer. It was found that the microstructure of the ZrO2 films did not change. The residual stress in ZrO2 films showed a tendency from tensile to compressive after CO, laser annealing, and the variation quantity of the residual stress increased with decreasing laser scanning speed. The residual stress may be mitigated to some extent at proper treatment parameters. (c) 2007 Elsevier GmbH. All rights reserved.

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.

Structure and optical properties of Nb2O5 sculptured thin films by glancing angle deposition

Nb2O5 sculptured thin. films deposited by electron beam evaporation with glancing angle deposition were prepared. Nb2O5 sculptured thin. films with tilted columns are optical anisotropy. XRD, SEM, UV-vis-NIR spectra are employed to characterize the microstructure and optical properties. The maximum of birefringence (Delta n) is up to 0.045 at alpha = 70 degrees with packing density of 0.487. With increasing the deposition angle, refractive index and packing density of Nb2O5 STF are decreasing. The relationship among deposition parameter, microstructure and optical properties was investigated in detail. (C) 2008 Elsevier B. V. All rights reserved.

Optical properties and microstructure of Ta2O5 biaxial film

This study investigates the optical properties and microstructure of Ta2O5 film deposited with the glancing angle deposition technique. The tilted nanocolumn microstructure, examined with scanning electron microscopy, induces the optical anisotropy of thin film. The optical properties of thin film are characterized with an inverse synthesis method. Based on the Cauchy model, the dispersion equations of optical constants of film are determined from the transmittance spectra measured at normal and oblique incidence over 400-800 nm. The starting values derived with an envelope method quicken the optimization process greatly. The dispersion of the principal indices N-1, N-2, and N-3 and the thickness d of thin film are presented statistically. A good agreement between the measured optical properties and theoretical calculation is obtained, which validates the model established for thin film produced by glancing angle deposition. (C) 2008 Optical Society of America

Compensation of reflectance response deviations of guided-mode resonant filters induced by overetching fabrication

Unless the fabrication error control is well treated, it easily causes overetched fabrication errors, which causes the resonant peak value deviation during the fabrication process of guided-mode resonant filters (GMRFs). Hence, the fabrication error control becomes a key point for improving the performance of GMRF. We find that, within the range of the groove depth from 93 to 105 nm, the relationship between the overetched error and the resonant peak value deviation is nearly linear, which means that we can compensate the reflectance response deviation and reduce the resonant peak value deviation by the method of covering the layer film on the GMRF. Simulation results show that the deviation is compensated perfectly by this way. (C) 2008 Optical Society of America

Influence of laser preconditioning on the capacity of optical films to resist laser-induced damage

As a technique to improve the ability of optical films to resist laser-induced damage (ARLID), laser preconditioning has been investigated broadly. In this paper, the laser preconditioning effect has been analyzed based on the defect-initialized damage mechanism that the author had put forward previously. Theoretical results show that an energy density scope (PEDS) exists in which the preconditioning laser can effectively improve the ARLID of optical films. In addition, when the energy density of the testing laser pulse is altered, the boundary of PEDS will change accordingly. Experimental results have verified these theoretical assumptions. PEDS will also become wider if the critical energy density of the preconditioning laser that can induce films' micro-damage increases, or the critical energy density of the preconditioning laser that can cause laser annealing decreases. In these cases, it is relatively easy to improve the ARLID of optical films. Results of the current work show great significance in enhancing the ARLID of optical films through the laser preconditioning technique. (C) 2008 Elsevier B.V. All rights reserved.

Influence of substoichiometer on the laser-induced damage characters of HfO2 thin films

HfO2 is one of the most important high refractive index materials for depositing high power optical mirrors. In this research, HfO2 thin films were prepared by dual-ion beam reactive sputtering method, and the laser-induced damage thresholds (LIDT) of the sample were measured in 1-on-1 mode for laser with 1064 nm wavelength. The results indicate that the LIDT of the as-grown sample is only 3.96 J/cm(2), but it is increased to 8.98 J/cm(2) after annealing under temperature of 200 degrees C in atmosphere. By measuring the laser weak absorption and SIMS of the samples, we deduced that substoichiometer is the main reason for the low LIDT of the as-grown sample, and the experiment results were well explained with the theory of electronic-avalanche ionization. (C) 2008 Elsevier B.V. All rights reserved.

鄂尔多斯油蒿生物量遥感动态监测研究

本研究通过对油蒿灌丛及研究地区土壤连续5个月的光谱观测，指出干旱半干旱地区土壤光谱反射的特点，油蒿灌丛的光谱反射将无可避免受土壤背景的影响．分析了油蒿灌丛光谱反射的季节动态变化，指出油蒿灌丛光谱反射不仅取决于叶片，枝条也是重要的反射构件．引入植被指数(Vegetation Index)，采用常规方法与遥感技术相结合估测油蓠单丛生物量，获得较单纯常规方法更高的估测精度，表明在干旱半干旱地区，应用植被指数估测灌丛生物量是可行的．对油蒿单优群落现存生物量动态监测，表明油蒿群落生物量8月份达到最高，是适应生态气候因子，特别是水因子的结果．观测不同深度土壤光谱反射，显示了土壤持水的稳定性．通过对研究地区土壤光谱观测，得到一条适合本地区的土壤线(8011line)．通过比较几种植被指数消除土壤背景影响和估测生物量的效果，选取综合效果最佳的植被指数- SAVI( Soil-Adjusted Vegetation Index)．利用植被指数区分典型地块，提取油蒿地块面积．

中国暖温带森林群落多样性若干问题的研究

中国暖温带落叶阔叶林区维管植物共158科，931属，近4000种（含亚种，变种和变型），种子植物l3l科，877属，3770余种。暖温带植物区系有很强的温带性质，各类温带成分共548属，而各类热带成分仅226属，热带成分与温带成分(R/T)的比率为0．31。运用TWINSPAN和DCA对全国34个植物区系进行了数量分类排序，结果反映了一个地区的植物区系性质主要取决于其所在地的地理位置，同时也受山地海拔高度的强烈影响这一植物区系的基本特征。 根据暖温带森林植物的特点，修订了Raunkiear生活型系统。暖温带森林植物以地面芽植物(H)占较大的优势，占暖温带全部种类的33.9%;其次是地下芽(G)植物，占l 9.7%;全部高位芽植物占27.5%，绝大部分为落叶阔叶高位芽植物。主要由这些生活型组成的暖温带植物生活型总谱基本反映了暖温带夏季温暖多雨、冬季寒冷干旱的中纬度地区地面芽植物群落气候特征。 暖温带森林植被类型主要有7个植被亚型，约50个群系。辽东栎群落是典型的地带性森林群落。应用TWINSPAN和DCA程序将68块暖温带部分地区辽东栎群落样地和83块北京山区辽东栎群落样地分别划分为1 5个和14个群落类型。用物种丰富度指数、Simpson指数、多样性奇测法、Shannon-Wiene r指数、Pielou均匀度指数，Heip均匀度指数、AIatalo均匀度指数等常用的多样性测度方法，分别对暖温带和北京山区辽东栎群落的多样性进行了测度，结果发现，多样性作为一个整体与DCA第1轴有很大的相关关系：暖温带辽东栎群落多样性指数与DCA第1轴的复相关系数为0.7左右，北京山区较高，为0.8左右。多样性的空间特征为：随海拔的升高和纬度的降低，多样性指数呈上升趋势，反映了水热条件在辽东栎水平分布范围内、人类活动和水分因子在辽东栎垂直分布范围内对群落多样性的影响;不同群落之间多样性指数由低到高的顺序为：灌丛、辽东栎萌生丛、辽东栎林、辽东栎纯林、混交林，符合群落演替过程中多样性的动态规律。 对秦岭主峰太白山海拔1400-1600m之间植被类型和物种多样性进行了研究，在划分的1 5种群落类型中，以位于海拔1500-2300m之间的落叶阅叶混交林和栎类混交林的群落多样性最高，在海拔2300-3600m之间，群落多样性趋于单调下降，反映了热量的不足在这一海拔高度范围成为多样性的主要限制因子。

神农架植被及其生物多样性与垂直分布格局-兼论中国中、北亚热带植被带的划分

本文主要通过样线法和样方法相结合，进行了大量的群落学调查和分析，分别从植物区系、物种多样性的垂直分布格局和森林群落类型三个方面分析了神农架植被的基本特征及其物种多样性，结果表明： 1．神农架地区具有很高的物种丰富度，有高等植物3，479种，隶属于1，010属，202科。 其中，蕨类植物305种，80属，32科;种子植物3，174种，930属，170科，其中裸子植物32种，19属，6科，被子植物3，142种，911属，164科;单子叶植物501种，175属，21科，双子叶植物2，641种，736属，143科。植物区系属的分布区类型中北温带分布型最多，其次为东亚分布、泛热带分布、东亚北美间断分布、旧世界温带分布以及热带亚洲分布。中国特有成分占5.65%，较全国的8.12%低。温热比(温带分布型(8-11)属数与热带分布型(2-7)属数的比值）为1.200，比全国(0.385)高。 调查样方中共出现高等植物784种，隶属于454属，144科，其中蕨类植物41种，32属，16科;种子植物743种，422属，128科，其中裸子植物20种，14属，5科，被子植物723种，408属，123科;单子叶植物86种，58属，11科，双子叶植物637种，350属，112科。属的分布区类型中北温带分布型最多，其次为东亚分布、泛热带分布、东亚北美间断分布、旧世界温带分布以及热带亚洲分布。温热比为1.52，草本层>乔木层>灌木层分别为2.18、1.76和1.14。 2．神农架植被类型多样，具有常绿阔叶林、常绿落叶阔叶混交林、落叶阔叶林、针阔混交林、亚高山针叶林、硬叶常绿阔叶林和亚高山灌丛草甸等自然植被类型。本文，依据乔木物种的重要值将神农架地区的森林植被划分出了69个类型。用Twinspan将调查的森林群落划分为32组，能基本上反映群落间相似的关系。 3．神农架地区具有完整的植被垂直带谱：海拔900 (1300) m以下为常绿阔叶林带;海拔900 (1300) m～1500 (1800)ⅡI为常绿落叶阔叶混交林带;海拔1500 (1800) m-2000 (2200)m为落叶阔叶林带;海拔2000 (2200) m～2400 (2600)m为针阔混交林带：海拔2400 (2600)m以上为亚高山针叶林带。神农架地区植被的垂直带的分化从总体上比较显著，但由于小生境的异质性和人为干扰，垂直带谱又具有一定的模糊性和次生性。南北坡具有一定的差异，但不十分明显，也说明神农架植被的过渡性。 4．神农架物种多样性的垂直分布格局。神农架的物种多样性与海拔的关系，类似于“中间膨胀”规律(mid-altitude bulge)，在中低海拔处生物多样性最高。通过二次多项式回归拟合，得到如下拟合曲线： 1)海拔与总体物种数：y= _14.445x2+ 34.74lx+42.07，Xd=1.203km; 2)海拔与乔木层物种数：y=-6.9707x2+ 21.334x+0.2004，Xdrl.530km; 3)海拔与灌木层物种数：y=-6.1599x2+ 9.9747x+30.991，Xd=0.8 lOkm: 4)海拔与草本层物种数：y= _3.9907x2+ 10.455x+15.35，Xd-1.308km; 5）海拔与乔木层Shannon-Wiener指数：y=_0.3337x2+ 0.9877x+0.2537，Xd' 1.480km; 6)海拔与灌木层Shannon-Wiener指数：y=-0.1938xz+ 0.422lx+1.2103，Xd=1.089km： 7)海拔与草本层Shannon-Wiener指数：y=_0.1072x2+ 0.294lx+0.9954，Xd=1.372km; x为海拔( km)，y为各物种多样性指标，Xd为物种多样性的最大时的海拔。 从这些拟合曲线中可以看出：总体物种多样性在海拔1200m左右的常绿落叶阔叶混交林带最高：乔木层物种多样性在海拔1500m左右的常绿落叶阔叶混交林带与落叶阔叶林的过渡带最高;灌木层物种多样性在海拔800-llOOm左右的常绿阔叶林与常绿落叶阔叶混交林带的过渡带最高;草本层物种多样性在海拔1300-1400m左右的常绿落叶阔叶混交林带最高。 但物种多样性随海拔变化有许多的起伏和波动。这些波动有些反映了群落的垂直带谱随海拔梯度变化的特点，在垂直带谱的过渡区物种多样性往往较高;有些波动反映了一些特殊的生境，有些反映了人为活动的影响，造成了神农架植被的次生性。因此，影响神农架物种多样性垂直分布的因素有：植被本身的性质和特点、过渡带的特点、生境的异质性和人为活动。 5．神农架植被水平地带性的过渡性。海拔1300m以下的植物属的分布区类型的温热比南坡总是比北坡小，而且相差十分显著，反映了神农架作为植被分界线的价值。神农架南坡的基带植被是常绿阔叶林，因此南坡属于中亚热带。北坡的基带植被，虽然也有常绿树种的零星分布，甚至有小块的常绿阔叶林，完全由于小生境所至，分布的主要类型是常绿落叶阔叶混交林，应属于北亚热带。因此，神农架是中、北亚热带重要的过渡地带。神农架地区中北亚热带的具体分界线宜按照分长江干流和汉水的水岭来划界，即猴子石、大窝坑、神农架、神农顶、老君山一线，南坡属于中亚热带，北坡属于北亚热带。 总之，神农架处于我国中、北亚热带的过渡带，具有过渡带的性质，具有很高的物种多样性，拥有完整的植被垂直带谱，具有多种多样的植物群落及其组成的生态系统。而且，具有我国许多特有植物和珍稀濒危保护植物和许多资源植物。因此，神农架植被在我国植被体系中具有重要的地位，是我国生物多样性最丰富的地区之一，是生物多样性保护的关键地区，也应是生物多样性研究的热点地区。 另外，调查分析了黄山和万朝山植被及其物种多样性与垂直分布格局，结果表明： 6．黄山样方中共出现高等植物259种，隶属于263属，110科，其中蕨类植物14种，II属，8科，种子植物345种，152属，105科，其中裸子植物9种，8属，6科，被子植物336种，144属，99科，其中单子叶植物37种，27属，6科，双子叶植物299种，117属，90科。属的分布区类型中北温带分布最多，其次为东亚分布和泛热带分布，再次为东亚北美间断分布、热带亚洲分布以及旧世界温带分布，与神农架和万朝山也较相似，但热带分布的属更多一些。温热比为1.1875，灌木层>草本层>乔木层，分别为1.3818、1.2609和1.2143。 黄山的森林植被类型有针叶林、常绿阔叶林、常绿落叶阔叶混交林、针阔混交林、落叶阔叶林和竹林。Twinspan将调查的森林群落划分为22组，反映群落间相似的关系，比较清楚和适用。依据乔木物种的重要值将森林植被划分出了34个类型。黄山物种多样性的与海拔的关系不十分明显。黄山植被的垂直带谱不是十分明显，将其垂直带谱划分为：海拔1300m(1500m)以下为常绿阔叶林带;海拔1300m(1500m)-1500m(1600m)常绿落叶阔叶混交林 带;1500m(1600m)以上为落叶阔叶林、黄山松林、山地灌木草丛带。垂直带谱在不同坡向上有差别，东、南、西坡的相似性较大，而北坡与其差别较大。 7．万朝山样方中共出现高等植物490种，隶属于339属，124科，其中蕨类植物21种，18属，11科，种子植物469种，321属，113科，其中裸子植物9种，7属，4科，被子植物460种，314属，109科，其中单子叶植物47种，37属，11科，双子叶植物413种，277属，98科。植物属的分布区类型中，北温带分布所占最多，其次为泛热带分布、东亚分布、东亚北美间断分布、旧世界温带分布以及热带亚洲分布，。温热比为1.3366，草本层>乔木层>灌木层，分别为1.5429、1.4063和1.0645。 万朝山的植被类型包括针叶林、落叶阔叶林、针阔混交林和常绿落时阔叶混交林，但没有典型的常绿阔叶林。依据乔木物种的重要值将森林植被划分出了20个类型。万朝山物种多样性与海拔的关系则不十分明显。万朝山的人为干扰比较强，植被的次生性很大，南、北坡物种多样性随海拔升高的起伏较大。

Limit of drug residues in aquatic products (NY5071-2002)

Weimin, ZOU, lexian YANG, lan JIANG, Shuqin WU, Qi YI, Jianli WU