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1.
闫树科  包瑾  苏喜平  徐晓光  姜勇 《物理学报》2008,57(4):2504-2508
采用直流磁控溅射方法制备了一系列的合成反铁磁及以其为自由层的自旋阀.研究发现,在Ni81Fe19与Ru层之间插入适当厚度的Co90Fe10层后,可有效地提高合成反铁磁两磁性层间的反铁磁耦合强度,得到具有饱和场Hs更高、饱和磁化强度Ms更低、热稳定性更好的合成反铁磁.另外,以这种合成反铁磁作自旋阀的自由层时,可有效提高自旋阀的稳定性. 关键词: 合成反铁磁 退火 自旋阀  相似文献   

2.
王君  齐建起 《光散射学报》2009,21(3):226-231
本文主要研究了CO2的三种同位素分子16O12C16O , 16O12C17O ,16O13C17O 70 K~6000 K的总内配分函数 (TIPS)。在总内配分函数的计算中, 转动配分函数的计算采用了McDowell的解析式法, 振动配分函数则采用了简谐振动近似(HOA)获得。最后通过将两配分函数乘积近似计算得出TIPS, 并将其70~3000 K的数据和HITRAN04数据进行了比较, 发现所得结果和数据库符合的较好, 且其误差可以近似看成一条直线。并通过对误差的拟合修订了高温区(3000~6000 K)的计算数据, 给出了在高温下的较为准确的TIPS值。  相似文献   

3.
本文用X射线和差热分析方法对BaO-Li2O-B2O3三元系中的两个截面:BaB2O4-Li2B2O4和BaB2O4-Li2O作了研究。在BaB2O4-Li2B2O4赝二元系中发现了一个新的化合物4BaB2O4·Li2B2O4。化合物在930±3℃由包晶反应形成,并与Li2B2O4形成共晶反应。共晶温度为797±3℃,共晶点组分为79mol%Li2B2O4。在BaB2O4-Li2O截面中也存在化合物4BaB2O4·Li2B2O4,其包晶反应温度从930±3℃随Li2O含量增加下降到908±3℃。在组分60mol%Li2O处形成另一个新的化合物2BaB2O4·3Li2O。该化合物在630±3℃也是由包晶反应形成,并与Li2O和Li2CO3分别形成共晶反应,共晶温度分别为400±3℃和612±3℃。在BaB2O4-Li2B2O4和BaB2O4-Li2O体系中都没有观察到固溶体。用计算机程序分别对化合物4BaB2O4·Li2B2O4和2BaB2O4·3Li2O的X射线粉末衍射图案进行了指标化,其结果:4BaB2O4·Li2B2O4的空间群为Pmma,a=13.033?,b=14.630?,c=4.247?,每个单胞包含两个化合式单位;2BaB2O4·3Li2O的空间群为Pmmm,a=4.814?,b=9.897?,c=11.523?,每个单胞也含有两个化合式单位。 关键词:  相似文献   

4.
The P-H stretching bands ν1/ν5 and 2ν1/ν1+ν5 were recorded using a Bruker 120 HR interferometer with a resolution of 0.0042 and 0.0088 cm−1, respectively, and analyzed. From the fits 33 and 50, respectively, vibrational, rotational, centrifugal distortion, and resonance interaction parameters were obtained. These reproduce 668 and 497 rovibrational energies of the pairs of states ν1/ν5 and 2ν1/ν1+ν5 with experimental accuracies, rms=0.00016 and , respectively. “Local mode” behavior of the PH2 fragment is established and discussed in detail.  相似文献   

5.
王国富  黄清镇 《物理学报》1985,34(4):562-566
用X射线衍射和差热分析方法研究了BaB2O4-K2O和BaB2O4-K2B2O4赝二元系的相平衡关系。BaB2O4-K2B2O4属共晶体系,共晶温度为850±3℃,共晶点成分为45mol%K2O。在Ba 关键词:  相似文献   

6.
采用磁控溅射,紫外线光刻和离子束刻蚀制备了La2/3Ca1/3MnO3/Eu2CuO4/La2/3Ca1/3MnO3磁性隧道结.通过对获得的磁性隧道结的I-V特性测量,发现非线性的I-V特性,显示结样品的隧穿特性.有趣的是发现在电极材料La2/3Ca1/3MnO3的金属-绝缘体转变温度(Tp)以下,I-V曲线出现一个跳变.随着温度降低,开始出现跳变的临界电流增大,但是跳变都发生在同样的电压下~209mV.当电流增大或减小在跳变点附近出现回滞.这一跳变只发生在铁磁金属态,表明这是一个磁性相关联的效应,可能对应一种新的磁性开关过程.虽然,目前对这一现象背后的物理机理还不清楚,但是,这一现象有可能在未来自旋电子学器件方面具有潜在的应用价值. 关键词: 庞磁电阻 磁性隧道结 开关效应  相似文献   

7.
王佩玲  李德宇 《物理学报》1985,34(2):235-240
使用X射线单晶衍射法测定了Bi2Pb2V2O10的结构。该晶体属三斜晶系,空间群为C11-P1,单位晶胞内化学式数Z=1,晶胞参数为:a=7.084(4)?,b=7.278(3)?,c=5.587(3)?,α=111.91(5)°,β=95.01(6)°,γ=108.86(4)°,V=245.70?3,Dx=7.35g/cm3,μ(MoKα)=678,94cm-1,F(000)=456。用Patterson函数分析及Forier技术测定了结构,对原子坐标、各向同性及各向异性热参数进行了最小二乘方修正,R=0.079。结构分析表明,Bi2Pb2V2O10的Pb原子与O原子形成八角十二面体,Bi原子与O原子形成六角多面体。两个共棱的Pb—O多面体与两个共棱的Bi—O多面体相连,并沿bc平面无限延伸。讨论了吸收的影响。最后,将Bi2Pb2VO10的结构与Pb2SO5的结构进行了比较。 关键词:  相似文献   

8.
陈立泉  王连忠  车广灿  王刚 《物理学报》1983,32(9):1170-1176
本文在室温到300℃的温度范围内研究了Li4SiO4-Li3VO4和Li4GeO4-Li4SiO4-Li3VO4体系中的离子导电性,发现γII相固溶体Li3+xV1-xSixO4是好的锂离子导体。所研究的成分中Li3.3V0.7Si0.3O4的离子电导率最高,室温下为1×10-5Ω-1·cm-1,在42—192℃的电导激活能为0.36eV,电子电导率可以忽略,因而这是迄今所发现的最好的锂离子导体之一。粗略确定了Li4GeO4-Li4SiO4-Li3VO4三元系中电导率高的范围,发现在Li3.5V0.5Ge0.5O4中Si部分取代Ge可以使电导率进一步提高,Li3.5V0.5Ge0.4Si0.1O4的室温电导率可达1.3×10-5Ω-1·cm-1,电导激活能为0.40eV。 关键词:  相似文献   

9.
对低掺杂区非超导的Pb_(6.56)Sr_(?)Y_(?)Ca_(?)Cu_(?)O_y单晶样品进行了电阻和磁阻的测量,发现在低温下电阻温度关系遵从变程跳跃传导的R=R_(?)exp[(T_(?)/T)~(?)]的变化规律,这说明该样品处于强局域化区域.在低温下的磁阻为负并有明显的各向异性,这表明这类体系的磁阻主要来自于轨道效应的贡献,并且可能受到自旋-轨道散射的影响. 关键词:  相似文献   

10.
利用QCISD(T),SAC-CI方法和cc-pVQZ,aug-cc-pVTZ,6-311++G及6-311++G(3df,2pd)基组,对MgH分子的基态X2Σ+,第一简并激发态A2Π和第二激发态B2Σ+的结构进行优化计算.通过对4个基组计算结果进行比较,得出6-311++G(3df,2pd)基组为最优基组.使用 关键词: 分子结构与势能函数 激发态 Murrell-Sorbie函数 C6函数')" href="#">Murrell-Sorbie+C6函数  相似文献   

11.
通过双光子光电子的方法探测了TiO2(011)-(2×1) 和TiO2(110)-(1×1)表面的光催化氧化甲醇的性质. 在吸附了甲醇的二氧化钛(011)和(110)界面处探测到了一个费米能级以上2.5 eV的电子激发态,该电子激发态可作为测试二氧化钛界面还原性的探针使用. 利用此探针在甲醇/TiO2(011)-(2×1)和甲醇/TiO2(110)-(1×1)界面探测到了一个随光照时间的电子激发态信号变化,这一变化可以归于光催化生成的表面羟基对界面还原性的影响. 由此得出的光催化氧化甲醇的速率TiO2(110)-(1×1)比TiO2(011)-(2×1)快了大约11.4倍. 这可能由于表面原子结构排布的原因不同. 本工作不仅介绍了一个利用双光子光电子能谱探测到的甲醇/TiO2界面电子结构的细节特征,还揭示了表面结构对二氧化钛光反应性质的重要影响.  相似文献   

12.
自行搭建了用于研究表面光催化的宽带红外和频振动光谱并可以原位紫外光激发的装置. 利用自制的结构紧凑小巧的高真空样品池,可以在10 kPa氧气氛围下经原位紫外光照除掉 射频磁控溅射制备的二氧化钛薄膜表面的有机污染物. 通过在室温下改变甲醇气压和指认吸附在薄膜表面的甲醇的和频振动光谱,发现薄膜表面有两种吸附的甲醇,分子形式吸附的甲醇(CH3OH)和解离吸附的甲醇(CH3O). 当甲醇的覆盖度由低变高时,分子形式吸附的甲醇的CH3的对称伸缩振动和费米共振峰红移了6~8 cm-1. 真空下,薄膜表面的甲氧基和表面的氢原子可以重新结合并以甲醇分子的形式脱附. 研究表明二氧化钛薄膜体系存在两个平衡:气相甲醇和表面吸附的甲醇分子之间,以及表面吸附的甲醇分子和甲氧基之间.  相似文献   

13.
Shuping Huang 《Molecular physics》2014,112(3-4):539-545
We present an electronic structure and non-adiabatic excited state dynamics study of ?001? anatase TiO2 nanowire (NW) by combining density matrix formalism and ab initio electronic structure calculations. Our results show that quantum confinement increases the energy gap as the dimension of TiO2 is reduced from the bulk to a NW with a diameter of several nanometres and that the probability of electronic transitions induced by lattice vibrations for the NW follows band gap law. The electron non-radiative relaxation to the bottom of the conduction band is involving Ti 3d orbitals, while the hole non-radiative relaxation of holes to the top of the valence band occurs by subsequent occupation of O 2p orbitals.  相似文献   

14.
用光电子能谱的方法研究了甲醇/TiO2(110)界面的电子结构.在激发波长为400 nm的双光子光电子能谱(2PPE)中,探测到了一个末态能量在费米能级以上5.5 eV的共振信号.之前的研究[Chem. Sci. 1, 575 (2010)]表明,这个共振信号与甲醇在5配位的钛离子(Ti5c)上的光催化解离相关.双光子光电子能谱同时携带初态和中间态的信息.为此设计了一个调谐激发光波长的2PPE实验以及一个单光子光电子能谱(1PPE)和2PPE对比的实验,结果一致表明这个共振信号来自于未占据的中间态,也就是激发态.能带色散关系测量表明这个激发态是局域的.时间分辨2PPE测得这个激发态的寿命是24 fs.  相似文献   

15.
采用实时双光子光电子能谱和时间分辨双光子光电子能谱技术分别研究了乙醇在该表面光催化解离的动力学和超快电子动态学过程. 通过测量与乙醇光催化解离相关的电子激发态随时间的演化,发现这个反应满足分型动力学. 乙醇在还原性TiO2(110)上的光催化解离比在氧化性表面快,这归结于缺陷的存在降低了反应能垒. 这样一个反应的加速过程很可能是与缺陷电子相关的. 通过干涉双脉冲相关的测量,得到了乙醇-TiO2界面电子激发态的超快动态学. 与甲醇的情况类似,这个电子激发态的寿命为24 fs. 激发态的出现为TiO2和它周围环境的电子转移提供了一个通道.  相似文献   

16.
Doping with transition metal ions in TiO2 has been found effective to modify the electronic structure of TiO2 nanoparticles. Application of synchrotron radiation photoelectron spectroscopy (SRPES) to Nd-doped TiO2 nanoparticles revealed that there existed different peak positions and structure with different doping concentration in the valence band spectra. From the onset of valence band spectrum, it was observed that doping Nd ions alters the electronic structure and makes the band gap of TiO2 narrow.  相似文献   

17.
Lei Huang  Feng Peng  Fumio S. Ohuchi   《Surface science》2009,603(17):2825-2834
In an attempt to investigate influence of the defects on electronic structure of Cu2O/TiO2 heterojunctions, thin Cu2O layers were successively deposited on TiO2 that has different levels of defect concentrations, and the resultant band bending and offset characteristics were studied by in situ X-ray photoelectron spectroscopy (XPS). The TiO2 substrates with defects were prepared by Ar+ sputtering, followed by annealing at different temperatures in oxygen atmosphere. Presence of the defects in TiO2 surface dramatically influences on the band bending and band offset at the interface: more defects are on TiO2 surface, less band bending are at the interface, inducing smaller conduction band offsets. On the reduced TiO2 surface, Cu2O was disproportionately decomposed to form CuO and Cu.  相似文献   

18.
Epitaxial growth defects and the interfacial structure between vapor deposited Cu and TiO2(110) have been studied by combined high-resolution electron microscopy (HREM) and image simulations. The Cu film was found to grow epitaxially with an orientation given by Cu(111)//TiO2(110) and Cu110//TiO2 [001]. With this relationship, there exist two equivalent domain orientations which are rotated with respect to each other by 180°. Localized misfit dislocations have not been detected, but {111} stacking faults and microtwins were observed which may occur as a result of 3-D island coalescence. HREM observations and image simulations have been used to study the interface atomic structure. The dominant interfacial structure has a stoichiometric (110) TiO2 surface with bridging rows of O atoms and occasionally, an interfacial structure having a reduced (110) TiO2 surface terminated by both Ti and O atoms has been observed locally.  相似文献   

19.
ABSTRACT

The present studies of the atomic Ag adsorbate on the substrate TiO2(110) explore the importance of dispersion (or van der Waals) energies for determining the structure of the adsorbed Ag atom, using density functional theory (DFT) supplemented by a dispersion energy treatment, within the PBE-D3 treatment. It is also of interest to explore electronic excitation by light absorption. Electronic density of states (EDOS) are obtained without and with Ag adsorbed on the TiO2(110), to find the extent of change on the density of valence, conduction and intraband states. This is done using the hybrid HSE06 functional, which is known to provide good values for the energy band gap of the substrate. A computationally efficient PBE?+?BG procedure for these structures, which corrects the PBE band gap, is implemented to generate accurate EDOSs and light absorption intensities versus photon energies. This is followed by a reduced density matrix treatment of the dissipative dynamics of light absorption, generating state-to-state oscillator strengths and photoabsorbances for the pure and nanostructured TiO2(110) surfaces. Adsorption of Ag leads to a noticeable increase in light absorption at visible wavelengths, and very large increases in the UV region of the spectrum.  相似文献   

20.
Titanium dioxide thin films have been prepared from tetrabutyl-orthotitanate solution and methanol as a solvent by sol-gel dip coating technique. TiO2 thin films prepared using a sol-gel process have been analyzed for different annealing temperatures. Structural properties in terms of crystal structure were investigated by Raman spectroscopy. The surface morphology and composition of the films were investigated by atomic force microscopy (AFM). The optical transmittance and reflectance spectra of TiO2 thin films deposited on silicon substrate were also determined. Spectroscopic ellipsometry study was used to determine the annealing temperature effect on the optical properties and the optical gap of the TiO2 thin films. The results show that the TiO2 thin films crystallize in anatase phase between 400 and 800 °C, and into the anatase-rutile phase at 1000 °C, and further into the rutile phase at 1200 °C. We have found that the films consist of titanium dioxide nano-crystals. The AFM surface morphology results indicate that the particle size increases from 5 to 41 nm by increasing the annealing temperature. The TiO2 thin films have high transparency in the visible range. For annealing temperatures between 1000 and 1400 °C, the transmittance of the films was reduced significantly in the wavelength range of 300-800 nm due to the change of crystallite phase and composition in the films. We have demonstrated as well the decrease of the optical band gap with the increase of the annealing temperature.  相似文献   

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