简介：Theelectronicstructureof(001)polarsurfaceofcubiczirconiawasstudiedbyGGA(WC)approximation.Wefoundthecubiclatticenear(001)surfaceshowedanintensivetendencytotransfertotetragonallattice.Themetallicstateappearedonboththeterminations.ForO-termination,someO2pstateswerevacatedandholecarriersconcentratedonsurfaceoxygen-ions.ForZr-ermination,someZr4dstatesbecamepartialoccupiedforthelossofO2pstates.Weobservedtheholestatesweremainlylocalizedatthecorrespondingionsonsurfaceforboththeterminations,whilethechargestatesonZr-terminationweredispersedonsurface.

简介：TheeffectsofgrowthtimeonthestructureandmorphologyofcubicGaNnucleationlayersonGaAs(001)substratesbymetalorganicchemicalvapordeposition(MOCVD)havebeeninvestigatedusingasynchrotronX-raydiffraction(XRD).TheXRDresultsshowthattheGaN111reflectionsat54.75°inχareameasurablecomponent,howeverthe002reflectionsparalleltoGaAs(001)surfacearenotdetected.TheXRDΦscansandpolefiguresgiveaconvincingproofthattheGaNnucleationlatyersshowexactlythecubicsymmetricalstructure.Thecoherencelengthsalongtheclose-packed<111>directionestuimatedfromthe111peakarenanometerorderofmagnitude,Theoptimalphotoluminescence(PL)spectrumwasobtainedfromthecubicGaNepilayerdepositedonthenucleationlayerfor60sec.

简介：Aquantumdynamiccalculationonafive-dimensionalO2/LiF（001）modelsystemisperformedusingthemulti-configurationtime-dependentHartreemethod.Theobtainedresultsshowthatthemechanismofrotationalanddiffractiveexcitationindetails:Comparisonwiththerotationalexcitedstate,theinitiallynon-rotationalstateisseentofavortheinelasticscatteringintherotationalexcitationprocess.Thesurfacecorrugationcandampthequantuminterferencesandproduceagreateramountofrotationalinelasticscatteringattheexpenseoftheelasticprocessintherotationalexcitationprocess.Thediffractionprocessandtheaverageenergytransferredintotherotationalanddiffractivemodearealsodiscussed.

简介：PitformationandsurfacemorphologicalevolutioninSi(001)homoepitaxyareinvestigatedbyusingscanningtunnelingmicroscopy.Anti-phaseboundaryisfoundtogiverisetoinitialgenerationofpitsboundbybunchedDBsteps.Theterracesbreakupandarereducedtoacriticalnucleussizewithpitformation.Duetoanisotropickinetics,adownhillbiasdiffusioncurrent,whichislargeralongthedimerrowsthroughthecentreareaoftheterracethanthroughtheareaclosetotheedge,leadstotheprevalenceofpitsboundby{101}facets.Subsequentannealingresultsinashapetransitionfrom{101}-facetedpitstomulti-facetedpits.

简介：采用基于密度泛函理论（DensityFunctionalTheory）的第一性原理计算了GaP（001）面吸附硫原子后的表面结构和电子结构。计算表明,在Ga和P截止的GaP（001）-（1×2）表面吸附两个硫原子后,会形成（1×1）的重构表面,硫原子吸附在桥位置（HB）。电子结构的计算显示,吸附硫原子后,GaP带隙中的表面态密度（DensityofStates）明显减少了,这表明在GaP（001）表面吸附硫原子后达到了钝化的效果。

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简介：采用D001阳离子交换树脂对UO3样品中的阴、阳离子进行分离,用亚沸水平衡色谱柱并进行溶液淋洗,建立了电感耦合等离子体发射光谱(ICP-OES)法测定UO3样品中硫元素的分析方法。在选定的实验条件下测定硫元素的检出限为0.24μg/mL,加标回收率在91.5%~98.5%,相对标准偏差分别为3.1%和3.2%。方法简便、快捷,准确度高,适用于UO3中硫元素含量的测定。

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