Exoelectron emission from solid nitrogen

Solid nitrogen was investigated by activation spectroscopy methods – thermally stimulated luminescence and thermally stimulated exoelectron emission (TSL and TSEE) in combination with luminescence analysis. TSEE from solid nitrogen pre-irradiated by an electron beam was measured and investigated for the first time. A set of peaks both in TSL and TSEE were observed. It was found that one of the peaks in the TSEE curve is caused by release of electrons in the course of the α-β phase transition of solid nitrogen. The corresponding activation energy was estimated.     

Electronic relaxations of radiative defects of the anion sublattice in caesium bromide crystals and exoemission of electrons

The thermostimulated exoelectron emission (TSEE) is applied for investigation of the processes of radiative defects recombination in the nearsurface layer. Results of TSEE studies of radiatively excited CsBr crystals are presented. Dose dependences of the decay kinetics, TSEE spectrum structure and exosums were studied. Concentration of exoemission-active centres (EAC) and TSEE kinetics parameters have been calculated on the base of the bulk thermoactivated anion sublattice defect recombination. The attained result correlate with the electron centres concentration for irradiated crystals. In the framework of the Auger-like anion defects recombinational bulk model of exoemission from irradiated wide-band-gap crystals, the energy spectra of the exoelectrons excited on the F-centres are attained.     

Solid-phase reaction of aluminum with the hexagonal and cubic phases of cobalt in film systems

Solid-phase reactions taking place in Al/β-Co/MgO(001) and Al/α-Co/MgO(001) film systems under conditions of self-propagating high-temperature synthesis (SHS) are investigated. In both systems, SHS products exhibit the single CoAl superstructure, which epitaxially grows on the MgO(001) surface in the Al/β-Co/MgO(001) structures and has a fine-dispersed disordered structure in the Al/α-Co/MgO(001) films. It appears that the difference in the reagent structure has an effect on the energy of activation but does not change the SHS initiation temperature and the temperature at which the initial phase involved in the reaction products nucleates. It is shown that the SHS initiation temperature in the Al/β-Co/MgO(001) and Al/α-Co/MgO(001) systems coincides with the temperature of CoAl superstructure ordering.     

Synthesis and characterization of aligned ZnO/MgO core–shell nanorod arrays on ITO substrate

ZnO/MgO core–shell nanorod arrays were synthesized successfully by the hydrothermal growth method. Photoluminescence (PL) emission from the nanorods showed remarkable enhancement after the growth of the MgO layer. The ZnO/MgO core–shell nanorods are type-I heterostructures, the electrons and holes of which are both confined in the core of the nanorods, as a result, leading to the increase of the photoluminescence intensity in this system. In addition, another reason for the enhancement of PL emission was the deposition of MgO shell suppression of surface defects. In addition, the activation energy (E _a) of 63 meV in the ZnO/MgO core–shell nanorods was obtained from temperature-dependent PL.     

A new technique for obtaining the activation energy distribution of a relaxing system

This paper describes a robust and fast fitting procedure applicable for relaxing processes that cannot be understood as a discrete sum of single processes but require an activation energy distribution. The method is based on a set of closed-form expressions that allow the computation of the relaxation parameters directly from the isochronal curves obtained experimentally. The usefulness of this method is checked by analyzing the isochronal curves given by a theoretical energy distribution and the magnetic disaccommodation spectra observed in yttrium iron garnet (YIG) samples. PACS 02.60.Ed; 75.60.Lr; 75.50.Gg     

Light emission during adsorption and desorption of oxygen on magnesium oxide

Chemisorption of oxygen on a previously outgassed MgO sample is accompanied by a luminescence phenomenon which follows an Elovitch kinetic law. Heating the MgO sample in vacuo after O₂ adsorption causes the appearance of strongly correlated thermally stimulated desorption (TSD) and luminescence (TSL) peaks. Analysis by the least-squares method shows that thermostimulated spectra prove to be the superposition of one second-order peak and one (TSL) or two (TSD) first-order peaks. The observed compensation law and the strong correlation between activation energy and preexponential factor are discussed. On the basis of our experiments a tentative mechanism about light emission is also proposed.     

Thermally stimulated exoelectron emission of BeO: Excitation by low energy electron impact

The thermally stimulated exoelectron emission (TSEE) of oxide films on polycristalline Be substrates can be excited by extremely low energy electron bombardment (primary energies below 5 eV). The emission intensity as a function of primary energy is different for the two groups of high and low temperature glow peaks. A threshold of excitation for the glow maxima below 400°C cannot be measured down to excitation energies of 1 eV, whereas a resonance in the excitation function is found around 3.5 eV for the peaks above that temperature. These excitation functions are discussed in connection with the present emission concepts of BeO.     

绝缘体二次电子发射系数测量装置的研制

 成功研制了测量绝缘体二次电子发射系数的测量装置，该装置主要由栅控电子枪系统、真空系统和电子采集系统组成，测量装置产生的原电子流的能量范围为0.8~60 keV。采用单脉冲电子枪法，测量了原电子能量范围为0.8~45 keV的多晶MgO的二次电子发射系数。测量中，收集极(偏置盒)离材料表面设置为约35 mm，偏置电压设置为 45 V。测量得到：用磁控溅射法制备的MgO的二次电子发射系数最大值约为2.83，处于 2~26范围内，其对应的原电子能量约为980 eV。这表明该装置测量的绝缘体二次电子发射系数是可信的，但用磁控溅射法制备的MgO的二次电子发射系数较低，这可能是制备MgO时引入了过多的杂质在MgO二次电子发射体里面所引起的。     

On the analysis of complex thermoluminescence glow curves

A method for analyzing complex thermoluminescence glow curves is reported. It allows the fitting of the experimental curves with the proposed kinetic equations in such a way as to verify their capability to represent the process under examination. The values of activation energy, frequency factor and other relevant parameters can be obtained. An application is made to the glow curve of the NaCl X-irradiated at room temperature.     

氧化镁纳米管团簇电子结构的密度泛函研究

用密度泛函理论（DFT）的杂化密度泛函B3LYP方法在6-31G（d）基组水平上对MgO纳米管团簇的二元环双管、三元环、三元环双管三种构型共21个团簇进行优化,对各构型的平均结合能、能隙、平均原子电荷以及总电荷密度进行了理论研究. 结果表明,平均结合能和配位数呈线性关系;随着纳米管的生长,团簇的稳定性增加,其中以三元环纳米管最为稳定;生长过程中发生原子间的电荷转移现象,预测出至无限长时的平均原子电荷分别为1298,1270,1306;混合离子共价键始终存在于MgO纳米管团簇之中. 关键词： 氧化镁 纳米管团簇 密度泛函理论 电子结构     

Diffusion of 51Cr in Cr-doped MgO

An arc fusion technique was used to grow single crystals of MgO and Cr-doped MgO. Diffusion coefficients for ⁵¹Cr in Cr-doped single crystals were measured at three temperatures 1383, 1444 and 1495°C using a high specific activity isotope ⁵¹Cr. An approximately linear relationship between the concentration of Cr-ions in MgO and diffusion coefficients of ⁵¹Cr was obtained.It is shown that the activation energy of 19.6 $\text{kcal}\text{mole}$ obtained for the doped crystals is the difference between the energy for motion and the energy for association of the Cr-vacancy complexes. Using a previously determined value of 39.9 kcal/mol for the energy of motion, the energy of association for the Cr-vacancy complex is calculated to 20.3 ± 3 kcal/mol or 0.88 ± 0.13 eV.     

金属熔体黏度与结构相关性的分子动力学模拟

运用EAM(embed atom method)作用势，采用非平衡分子动力学模拟获得Al熔体的偶分布函数与黏度数值随温度的变化曲线，偶分布函数的计算结果与实验值符合得较好.对模拟所得到的黏度数据编程实现黏度的Arrhenius公式拟合，得到激活能E.并利用模拟所得到的黏度值及激活能对Lennard-Jones(L-J)作用势进行修正，获得黏度与偶分布函数及原子间相互作用势之间的关系式，两条黏度拟合曲线与分子动力模拟结果符合得比较好，说明拟合程序的编写是比较成功的，实现了对L-J作用势的修正.该研究为金属及合金原子间相互作用势的建立提供了新的思路. 关键词： 非平衡分子动力学模拟 L-J作用势修正 Al熔体 结构与黏度相关性     

Characterization of electronic structure in dielectric materials by making use of the secondary electron emission

The methodology of characterizing electronic structure in dielectric materials will be presented in detail. Energy distribution of the electrons emitted from dielectric materials by the Auger neutralization of ions is measured and rescaled for Auger self-convolution, which is restructured from the energy distribution of the emitted electrons. The Fourier transform is very effective for obtaining the density of states from the Auger self-convolution. The MgO layer is tested as an example of this new measurement scheme. The density of states in the valence band of the MgO layer is studied by measuring the energy distribution of the emitted electrons for MgO crystal with three different orientations of (111), (100) and (110). The characteristic energy of ?₀ corresponding to the peak density of the states in the band is determined, showing that the (111) orientation has a shallow characteristic energy ?₀ = 7.4 eV, whereas the (110) orientation has a deep characteristic energy ?₀ = 9.6 eV, consistent with the observed coefficient γ of the secondary electron emission for MgO crystal. Electronic structure in new functional nano-films spayed over MgO layer is also characterized. It is therefore demonstrated that secondary electron emission by the Auger neutralization of ions is highly instrumental for the determination of the density of states in the valence band of dielectric materials. This method simultaneously determines the valence band structure and the coefficient γ of the secondary electron emission, which plays the most important role in the electrical breakdown phenomena.     

Stability of MgAl 2 O 4 Under High-Pressure Conditions

A theoretical investigation of the MgAl 2 O 4 crystal response to high-pressure conditions has been carried out to determine its stability against decomposition towards MgO and f -Al 2 O 3 , and towards recently observed orthorhombic phases. We have evaluated total energy versus volume curves using the density functional formalism under the non-local B3LYP approximation, as implemented in the CRYSTAL package. Numerical and analytical fittings have been carried out to determine the equilibrium unit cell geometry and equation of state parameters for all the structures and compounds involved in the phase diagram. The macroscopic compressibility of the spinel phase is interpreted considering the compressibility of its elementary MgO 4 and AlO 6 coordination polyhedra, and implications to understand the phase stability are suggested.     

Crystallization characteristics of a middle CoFeB layer in a double MgO barrier magnetic tunnel junction

The crystallization characteristics of a middle CoFeB free layer in a magnetic tunnel junction (MTJ) with double MgO barriers were investigated by tunneling magnetoresistance (TMR) measurements of patterned cells across an 8-inch wafer. The MTJ structure was designed to have two CoFeB free layers and one bottom pinned layer, separated by MgO tunnel barriers. The observed resistance showed three types of TMR curves depending on the crystallization of the middle CoFeB layer. From the analysis of TMR curves, coherent crystallization of the middle CoFeB layer with the top and bottom MgO barriers was found to occur non-uniformly: About 80% of the MTJ cells in the wafer exhibited coherent crystallization of the middle CoFeB layers with the bottom MgO tunnel barrier, while others had coherent crystallization with the top MgO tunnel barrier or both barriers. This non-uniform crystallization of the middle CoFeB layer in a double MTJ was also clearly observed in tunneling electron microscopy images. Thus, control of the crystallization of the middle CoFeB layer is important for optimizing the MTJ with double MgO barriers, and especially for the fabrication of double barrier MTJ on a large area substrate.     

Spin-dependent quantum interference from epitaxial MgO thin films on Fe(001)

Spin-dependent electron reflection from MgO thin films grown on Fe(001) was measured using spin-polarized low energy electron microscopy. The electron reflectivity exhibits quantum interference from which two MgO energy bands with Delta1 symmetry were determined in experiment. We found that a bulklike MgO energy gap is fully established for MgO film thicker than 3 atomic monolayers and that the electron reflectivity from the MgO/Fe interface exhibits a spin-dependent amplitude and a spin-independent phase change.     

Theoretical and experimental study of Fe/Cr nanometric quasiperiodic multilayers

An experimental and theoretical study of magnetization curves of Fe/Cr nanometric magnetic films grown with the structure of the quasiperiodic Fibonacci sequence is presented. Fe ferromagnetic films with interfilm exchange coupling provided by intervening Cr non-ferromagnetic layers were grown on MgO (100) by dc magnetron sputtering at 300 ^°C. The magnetization curves were investigated using the magneto-optical Kerr effect with the external field applied along the easy axis. The theoretical approach for this system is based on a realistic phenomenological model that includes the following contributions to free magnetic energy: Zeeman, cubic magneto-crystalline anisotropy, as well as bilinear and biquadratic exchange energies. Our numerical results are in very good agreement with the experimental data.     

The effect of the temperature on the reduction kinetics of oxidized Ni(111) surfaces by hydrogen

The reduction kinetics of oxidized Ni(111) surfaces are measured in situ with ellipsometry in a temperature range between 450 and 675 K. The reaction rate is proportional to the square root of the hydrogen pressure below reduction temperatures of 525 K. The rate limiting step is the reaction between chemisorbed oxygen and dissociated hydrogen and has an experimental activation energy of 57 ± 7 kJ/mol. This reaction takes only place on the oxide free part of the Ni surface. Above 600 K, the reaction rate is proportional to the hydrogen pressure. The rate limiting step is the formation of water and has no experimental activation energy. At temperatures above 600 K the distribution of oxygen throughout the Ni crystal has a large effect on the reduction curves. A new reduction model is proposed that describes all the observed curves satisfactorily.     

The structure and properties of the stepped surfaces of MgO and NiO

The static lattice computer simulation method has been used to study the structure and properties of high index faces of MgO and NiO. The (10_n) series of faces can be considered as stepped (001) surfaces and have been studied for both materials. In addition, the (403) and (302) faces which can be considered as stepped (101) surfaces have been studied for NiO. The calculated energies for steps on the (001) face are 3.72×10^?10 and 3.62×10^?10 J m^?1 for MgO and NiO respectively. The NiO energy also requires correction for the crystal field splitting. The energy of steps on the (101) surface is at least an order of magnitude lower. The interaction between the steps is repulsive but of short range. The large variation of surface energy with angle indicates that torque terms cannot be neglected in the analysis of thermal grooving experiments. The step structure is modified by substantial ionic displacements leading to an obtuse step angle. The structure is qualitatively similar for both NiO and MgO. The large distortions are likely to modify the step properties from those deduced by consideration of only the ideal geometry.     

A new method for the numerical analysis of thermoluminescence glow curve

A new method to analyze the thermoluminescence (TL) glow curve has been presented. It has been shown that this method is efficient and fast in generating the TL glow curves and can be adopted in a numerical curve fitting for obtaining the relevant TL parameters of a given TL glow curve data. This new method is based on a general approximation (GA) which assumes only that the concentration of the electrons in the conduction band is negligible when compared with the concentration of the electrons in the traps. The GA method has been tested against the reference glow curve data which was generated by the full iteration method without any prior approximation in the one-trap-one-recombination-centre model. By finding the best fit between the reference data and the curves generated by the GA method, the values of the kinetics parameters have been determined. Also, the general order kinetics (GOK) and the peak shape method have been examined. The fitted values of the activation energy and the initial concentration of electron by the GA method match reasonably well with the original value.