Ta4Cn^-/0(n=0-4)团簇的电子结构、成键性质及稳定性

本文采用尺寸选择的负离子光电子能谱技术,结合密度泛函理论,对Ta4Cn^-/0(n=0-4)团簇电子结构、成键性质以及稳定性进行了研究.实验测得Ta4Cn-(n=0—4)团簇负离子基态结构的垂直脱附能分别为(1.16±0.08),(1.35±0.08),(1.51±0.08),(1.30±0.08)和(1.86±0.08)eV.中性Ta4Cn(n=0—4)团簇的电子亲和能分别为(1.10±0.08),(1.31±0.08),(1.44±0.08),(1.21±0.08)和(1.80±0.08)eV.研究发现Ta4^-/0团簇为四面体结构,Ta4C1-/0团簇中碳原子覆盖在Ta4四面体的一个面上方,Ta4C2^-/0团簇则是两个碳原子分别覆盖在Ta4四面体中的两个面上方.Ta4C3^-/0团簇是一个缺角立方体结构.Ta4C4^-/0团簇则是近似立方体结构,可以看成是α-TaC面心立方晶体的最小晶胞单元.分子轨道分析结果显示Ta4C3团簇的单电子最高占据轨道主要布居在单个钽原子周围,导致Ta4C3^-团簇的垂直脱附能明显低于其相邻团簇.理论研究显示随着碳原子数目的增加,Ta4Cn^-/0(n=0—4)团簇中的钽-钽金属键逐渐被钽-碳共价键取代,单原子结合能逐渐增加且明显高于Ta4+n^-/0(n=0-4)团簇.中性Ta4C4的单原子结合能高达7.13 eV,这说明钽-碳共价键的形成有利于提高材料的熔点,这与碳化钽作为高温陶瓷材料的特性密切相关.     

Influences of Pr and Ta doping concentration on the characteristic features of FTO thin film deposited by spray pyrolysis

The Pr and Ta separately doped FTO(10 at.% F incorporated Sn O2) films are fabricated via spray pyrolysis. The microstructural, topographic, optical, and electrical features of fluorine-doped TO(FTO) films are investigated as functions of Pr and Ta dopant concentrations. The x-ray diffraction(XRD) measurements reveal that all deposited films show polycrystalline tin oxide crystal property. FTO film has(200) preferential orientation, but this orientation changes to(211) direction with Pr and Ta doping ratio increasing. Atomic force microscopy(AFM) and scanning electron microscopy(SEM) analyses show that all films have uniform and homogenous nanoparticle distributions. Furthermore, morphologies of the films depend on the ratio between Pr and Ta dopants. From ultraviolet-visible(UV-Vis) spectrophotometer measurements, it is shown that the transmittance value of FTO film decreases with Pr and Ta doping elements increasing. The band gap value of FTO film increases only at 1 at.% Ta doping level, it drops off with Pr and Ta doping ratio increasing at other doped FTO films. The electrical measurements indicate that the sheet resistance value of FTO film initially decreases with Pr and Ta doping ratio decreasing and then it increases with Pr and Ta doping ratio increasing. The highest value of figure of merit is obtained for 1 at.% Ta- and Pr-doped FTO film. These results suggest that Pr- and Ta-doped FTO films may be appealing candidates for TCO applications.     

Partial photoneutron cross sections for the isomeric state 180Tam

Photoneutron cross sections for (181)Ta(y, n) (180)Ta(m) were determined from simultaneous measurements of total cross sections (sigma(tot) and ground-state cross sections (sigma(gs)) for (180)Ta in photodisintegration of with laser Compton-backscattered rays. Techniques of direct neutron counting and photoactivation were used for the measurement of sigma(tot) and sigma(gs), respectively. The partial cross sections for the isomeric state serves as a novel probe of the nuclear level density of (180)Ta. Implications for the p- and s-process nucleosynthesis of (180)Ta(m) are given.     

Effects of thickness and annealing condition on magnetic properties and thermal stabilities of Ta/Nd/NdFeB/Nd/Ta sandwiched films

Ta/Nd/NdFeB/Nd/Ta sandwiched films are deposited by magnetron sputtering on Si(100) substrates,and subsequently annealed in vacuum at different temperatures for different time.It is found that both the thickness of NdFeB and Nd layer and the annealing condition can affect the magnetic properties of Ta/Nd/NdFeB/Nd/Ta films.Interestingly,the thickness and annealing temperature show the relevant behaviors that can affect the magnetic properties of the film.The high coercivity of 24.1 kOe(1 Oe = 79.5775 A/m) and remanence ratio(remanent magnetization/saturation magnetization)of 0.94 can be obtained in a Ta/Nd(250 nm)/NdFeB(600 nm)/Nd(250 nm)/Ta film annealed for 3 min at 1023 K.In addition,the thermal stability of the film is also linked to the thickness of NdFeB and Nd layer and the annealing temperature as well.The excellent thermal stability can be achieved in a Ta/Nd(250 nm)/NdFeB(600 nm)/Nd(250 nm)/Ta film annealed at1023 K.     

Ultraviolet photoemission spectroscopy of (TaSe4)2I

The vacuum ultraviolet photoemission spectra of quasi-one-dimensional charge density wave ( CDW ) system, (TaSe₄)₂I, were measured for photon energies between 32 and 100 eV at room temperature ( in the normal phase ) and at about 100 K ( in the CDW phase ). The spectrum of Ta 4f core-levels has shown no additional splitting due to the two different Ta sites. The spectra of the valence and conduction bands have revealed the resonant enhancement for the excitation of the Ta 5p core states, which demonstrates the remarkable hybridization of Ta 5d orbitals with Se 4p orbitals with binding energies smaller than 4 eV. In the CDW phase, the partial cross section decreases for both Ta 5d bands and Se 4p bands with Ta 5d components.     

Ta,Ta/Cu缓冲层对NiFe/Fe Mn双层膜交换偏置场的影响

采用磁控溅射方法制备了分别以Ta和Ta/Cu作为缓冲层的一系列NiFe/FeMn双层膜.实验发现,以Ta为缓冲层的NiFe/FeMn双层膜的交换偏置场比以Ta/Cu为缓冲层的NiFe/FeMn双层膜的交换偏置场大.测量了这两种双层膜的织构、表面粗糙度和表面成分.结果表明,以Ta/Cu为缓冲层时,Cu在NiFe层的上表面偏聚是造成NiFe/FeMn双层膜交换偏置场降低的重要原因. 关键词： NiFe/FeMn 交换偏置场 织构 表面粗糙度     

Structure and magnetism of the V/Ta(0 0 1) surface: A DFT calculation

Calculations using the density functional theory, norm-conserving pseudopotentials and the generalized gradient approximation are performed for vanadium (V) and tantalum (Ta) clean surfaces, and the V/Ta(0 0 1) system. Vanadium and Ta(0 0 1) clean surfaces are found to be nonmagnetic with large inward relaxations of 9.81% and 11.19%, respectively, in good agreement with experiment and other calculations. However, we obtained an appreciable magnetic moment of 2.24 μB for the V monolayer in the V/Ta(0 0 1) system. The inward relaxation is reduced to 6.01% for the V overlayer on Ta(0 0 1) as a result of its spin polarization. An induced magnetic moment of 0.41 μB is obtained on the Ta interfacial layer, which is found to be anti-ferromagnetically coupled with the V overlayer and the Ta layers below.     

Interface reaction of Ta/NiO and its effect on exchange coupling

Ta/NiO/NiFe/Ta multilayers, utilizing Ta as the buffer layer, were prepared by RF reactive and DC magnetron sputtering. The exchange coupling field between NiO and NiFe reached a maximum value of 120 Oe at a NiO film thickness of 50 nm. The composition and chemical state at the interface region of Ta/NiO/Ta were studied using the X-ray photoelectron spectroscopy (XPS) and peak decomposition technique. The results show that there is an `intermixing layer’ at the Ta/NiO (and NiO/Ta) interface due to a thermodynamically favorable reaction: 2Ta+5NiO=5Ni+Ta<sub>2</sub>O<sub>5</sub>. This interface reaction has an effect on the exchange coupling. The thickness of the `intermixing layer’ as estimated by XPS depth-profiles was about 8–10 nm.     

Study of deuterium and hydrogen distributions in Ta|CD<Subscript>2</Subscript>|Ta,Ta|Ta|CD<Subscript>2</Subscript>|Ta|Ta,and Nb|CD<Subscript>2</Subscript>|Nb assemblies after exposure to high-temperature argon plasma

Assemblies made of Ta|CD₂|Ta, Ta|Ta|CD₂|Ta|Ta and Nb|CD₂|Nb foils are irradiated with pulses of high-temperature argon plasma created by means of a “Plasma Focus” setup. The irradiated foil samples are investigated by recording the recoil nuclei of hydrogen and deuterium. It is found that hydrogen and deuterium are redistributed in foil stacks. The ultradeep penetration of light gas impurities (hydrogen and deuterium) can be explained by the influence of shock waves on the foils and accelerated diffusion under an external force.     

Interfacial reactions during sputter deposition of Ta and TaN films on organosilicate glass: XPS and TEM results

The evolution of the interface between organosilicate glass (OSG) and sputter deposited Ta or TaN films has been characterized by X-ray phototelectron spectroscopy (XPS). Cross-sectional TEM (XTEM) was also used to analyze Ta/OSG and TaN/OSG/interfaces for samples formed under different deposition conditions. XPS data show that Ta deposition onto OSG results in formation of an interphase between 1 and 2 nm thick composed of oxidized Ta and C. Metallic Ta is then formed on top of the interfacial region. In contrast, Ta-rich TaN formation occurs with some nitridation of the substrate, but with no significant interphase formation. The XPS data are consistent with the XTEM data. The XTEM results for Ta/OSG indicate a spatially irregular interface over a length scale of ∼2 nm, while results for TaN/OSG indicate a spatially abrupt region.     

Ta及Nanbu库仑碰撞模型数值对比研究

深入研究库仑碰撞,对两种库仑碰撞模型-Ta模型与Nanbu模型在理论上进行了对比分析,详细阐述了两种模型中散射角大小的区别.在已有的采用Ta模型的全三维粒子模拟/蒙特长罗(PIC/MCC)算法基础上,采用Nanbu模型对电子间库仑碰撞计算模块重新进行了算法设计.分别应用Ta模型、Nanbu模型和无库仑碰撞的全三维PIC/MCC算法对国外热门负氢离子源JAEA 10A中的电子能量沉积进行了模拟分析.模拟结果与实验结果的对比分析发现:1)库仑碰撞使电子能量分布更接近于麦克斯韦分布;2)相对于传统的Ta模型,Nanbu模型的散射角考虑了多体碰撞的累加效果从而具有更高的期望值,按其模拟得到的电子温度具有更高的精度.这些为国内外学者设计相关算法指明了方向.     

Ellipsometry studies of albumin films on tantalum oxide and SiO2

The adsorption of (1) bovine serum albumin in acetate buffer, (2) albumin followed by glutaraldehyde crosslinking, (3) albumin followed by exposure to an albumin/glutaraldehyde solution, and (4) albumin after the surface was subjected to treatment (3), has been studied using Ta oxide/Ta chips and SiO₂/Si wafers as substrates. The films were washed, air dried and measured in air using an automatic laser ellipsometer, 6328 Å. The films formed from treatment (3) and treatment (4) have a lower refractive index and are thicker than films formed from treatment (1) and treatment (2). The adsorption of albumin on SiO₂/Si wafers seems to be slower than that on the Ta oxide/Ta surfaces.     

Structural and magnetic properties of CoCrPt perpendicular media grown on different buffer layers

The influence of buffer layer characteristics on the structural and magnetic properties of CoCrPt perpendicular media has been investigated. Thin (∼10–15 nm) buffer layers consisting of Ta/Ru, Ta/Hf, or amorphous (CoCrPt)Ta₂₅ produced media layers having high perpendicular coercivity of nearly 3 kOe, but the coercivity was only 1.7 kOe when using a Ta/Ti buffer. X-ray diffraction rocking curves showed the highest degree of (0 0 0 2) texture for the Ta/Ru buffer. In-plane diffraction indicated that the Ta/Ru buffer also had the smallest lattice mismatch (5.6%) with the CoCrPt. Cross-sectional transmission electron microscopy showed that the Ta/Ru buffer promoted local epitaxy with the media layer. Amorphous transition regions were observed at the interfaces between the media and the Ta/Hf and Ta/Ti buffer layers. Some small CoCrPt grains were observed at the interface with the amorphous CoCrPtTa buffer.     

EuS/Ta异质结的极大磁电阻效应

在铁磁/超导异质结中,铁磁体的交换场通过近邻效应将导致超导体准粒子态密度的塞曼劈裂.基于该效应,在外磁场不强的情况下,通过外加磁场可以有效地调节铁磁/超导界面处的交换作用,从而实现超导体在正常态和超导态之间转换,产生极大磁电阻.本文利用脉冲激光沉积方法制备了EuS/Ta异质结并研究了其电磁特性.Ta在3.6 K以下为超...     

171Ta高自旋态能级寿命测量

在中国原子能科学研究院的HI 13串列加速器上通过157Gd(19F,5n)171Ta重离子熔合蒸发反应布居了171Ta的高自旋态,以多普勒移动衰减法的峰形分析法分析了171Tah9/2质子1/2[541]转动带的6条能级的寿命,得到了这6条能级的平均寿命值. The high spin states of~(171)Ta have been populated via heavy ion fusion evaporation reaction~(157)Gd(~(19)F, 5n)~(171)Ta at the HI-13 tandem accelerator in China Institute of Atomic Energy. The lifetimes of the high spin states in~(171)Ta have been measured by using the Doppler Shift Attenuation Method (DSAM). Six levels of its h_(9/2) proton 1/2\ band have been analyzed and their lifetimes have been deduced from the experimental data.     

Ta2O5绝缘层厚度对ZnO基薄膜晶体管器件性能的影响

报道了不同厚度TaO5栅绝缘层对氧化锌薄膜晶体管器件性能的影响.在室温下用射频磁控溅射分别制备了100,85,60,40 nm厚度的Ta2O5薄膜作为绝缘层的一组底栅氧化锌薄膜晶体管器件.从实验结果可以得出如下结论:随着Ta2O5栅绝缘层厚度的增加,相应器件的场效应迁移率下降,其数值分别是50.5,59.3,63.8,...     

NMR-on of182Ta and183Ta in Fe

Nuclear magnetic resonance has been observed on radioactive¹⁸²Ta and¹⁸³Ta oriented at low temperature in an Fe host, by detection of the change in spatial anisotropy of γ-rays emitted during nuclear decay. By measuring the resonant frequencies of¹⁸³Ta in four different applied magnetic fields the nuclear magnetic moment and hyperfine field have been deduced. These are: $$|\mu \left( {{}^{183}Ta; I = \tfrac{\user2{7}}{\user2{2}}} \right)| = 2.28(3)\mu _{\rm N} and B_{hf} \left( {Ta\underline {Fe} at 0 K} \right) = - 67.2(1.3)T$$ . The spin of the ground state of¹⁸²Ta has been determined asI=3 by comparing resonance results with those obtained in a thermal equilibrium nuclear orientation study. The ratio of the resonant frequencies observed for¹⁸²Ta and¹⁸³Ta at one applied field value yields a magnetic moment for the former of $$|\mu \left( {{}^{182}Ta; I = \user2{3}} \right)| = 2.91(3)\mu _{\rm N} $$ . The spin lattice relaxation time for¹⁸³TaFe (0.12 at% Ta) at 18 mK in an applied field of 0.5 T has been found to be 40(10) s.     

Structure,phase evolution and properties of Ta films deposited using hybrid high-power pulsed and DC magnetron co-sputtering

Crystalline phase and microstructure control are critical for obtaining desired properties of Ta films deposited by magnetron sputtering. Structure, phase evolution and properties of Ta films deposited by using hybrid high power impulse magnetron sputtering (HiPIMS) and direct current magnetron sputtering (DCMS) under different fractions of DCMS power were investigated, where Ta ion to Ta neutral ratios of the deposition flux were changed. The results revealed that the number of Ta ions arriving on the substrate/growing film plays an important role in structure and phase evolution of Ta films. It can effectively avoid the unstable arc discharge under low pressure and show a higher deposition rate by combining HiPIMS and DCMS compared with only HiPIMS. Meanwhile, the high hardness α -Ta films can be directly deposited by hybrid co-sputtering compared to those prepared by DCMS. In the co-sputtering technology, pure α -Ta phase films with extremely fine, dense and uniform crystal grains were obtained, which showed smooth surface roughness (3.22 nm), low resistivity (38.98 μΩ · cm) and abnormal high hardness (17.64 GPa).     

Ferromagnetic resonance in monocrystalline spin valves CoFeB/Ta/CoFeB and CoFeB films with perpendicular magnetic anisotropy

Orientation dependences of ferromagnetic resonance in a MgO/CoFeB/MgO/Ta film with one ferromagnetic layer (monolayer) and in a MgO/CoFeB/Ta/CoFeB/MgO/Ta spin valve containing two single-crystal ferromagnetic CoFeB layers divided by a nonmagnetic Ta layer (bilayer) were investigated. Analysis of the orientation dependences of the structures with perpendicular magnetic anisotropy allowed calculating constants of magnetic anisotropy and damping factors. Physical reasons underlying the differences between these parameters in one- and two-layered structures are discussed.     

Nearly golden-ratio order in Ta metallic glass

The formation of mono-atomic tantalum(Ta)metallic glass(MG)through ultrafast liquid cooling is investigated by ab-initio molecular dynamics(MD)simulations.It is found that there exists nearly golden ratio order(NGRO)between the nearest and second nearest atoms in Ta MG,which has been indirectly confirmed by Khmich et al.and Liang et al..The NGRO is another universal structural feature in metallic glass besides the local five-fold symmetry(LFFS).Further analyzing of electronic structure shows that the obvious orientation of covalent bond could be attributed to the NGRO in amorphous Ta at 300 K.