Universal spin-dependent variable range hopping in wide-band-gap oxide ferromagnetic semiconductors

This paper proposes a universal spin-dependent variable range hopping theoretical model to describe various experimental transport phenomena observed in wide-band-gap oxide ferromagnetic semiconductors with high transition metal concentration. The contributions of the `hard gap' energy, Coulomb interaction, correlation energy, and exchange interaction to the electrical transport are considered in the universal variable range hopping theoretical model. By fitting the temperature and magnetic field dependence of the experimental sheet resistance to the theoretical model, the spin polarization ratio of electrical carriers near the Fermi level and interactions between electrical carriers can be obtained.     

Electrical property effect of oxygen vacancies in the heterojunction of LaGaO_3/SrTiO_3

Density functional theory within the local density approximation is used to investigate the effect of the oxygen vacancy on the LaGaO_3/SrTiO_3(001) heterojunction. It is found that the energy favorable configuration is the oxygen vacancy located at the 3~(rd) layer of the STO substrate, and the antiferrodistortive distortion is induced by the oxygen vacancy introduced on the SrTiO_3 side. Compared with the heterojunction without introducing oxygen vacancy, the heterojunction with introducing the oxygen vacancy does not change the origin of the two-dimensional electron gas(2DEG), that is, the 2DEG still originates from the d_(xy) electrons, which are split from the t~(2g) states of Ti atom at interface; however the oxygen vacancy is not beneficial to the confinement of the 2DEG. The extra electrons caused by the oxygen vacancy dominantly occupy the 3d_(x~2-y~2) orbitals of the Ti atom nearest to the oxygen vacancy, thus the density of carrier is enhanced by one order of magnitude due to the introduction of oxygen vacancy compared with the density of the ideal structure heterojunction.     

Novel Fe_3O_4@SiO_2@Ag@Ni trepang-like nanocomposites:High-efficiency and magnetic recyclable catalysts for organic dye degradation

A facile step-by-step approach is developed for synthesizing the high-efficiency and magnetic recyclable Fe_3O_4@SiO_2@Ag@Ni trepang-like nanocomposites.This method involves coating Fe_2O_3 nanorods with a uniform silica layer,reduction in 10%H_2/Ar atmosphere to transform the Fe_2O_3 into magnetic Fe_3O_4,and finally depositing Ag@Ni core-shell nanoparticles on the L-lysine modified surface of Fe_3O_4@SiO_2 nanorods.The fabricated nanocomposites are further characterized by x-ray diffraction,transmission electron microscopy,scanning electron microscope,Fourier transform infrared spectroscopy,and inductively coupled plasma mass spectroscopy.The Fe_3O_4@SiO_2@Ag@Ni trepang-like nanocomposites exhibit remarkably higher catalytic efficiency than monometallic Fe_3O_4@SiO_2@Ag nanocomposites toward the degradation of Rhodamine B(RhB) at room temperature,and maintain superior catalytic activity even after six cycles.In addition,these samples could be easily separated from the catalytic system by an external magnet and reused,which shows great potential applications in treating waste water.     

LJ团簇和H2O团簇的局域优化计算

将传统分子动力学方法中时间积分步长定义成粒子的最大加速度、最大速度和变化的最大允许空间步长的函数,并给出了空间步长的确定方法.作为对这个算法有效性的检验,计算了较小Lennard-Jones团簇和H₂O团簇的稳定结构,发现了新的(H₂O)₁₃的最小能结构.     

Structural and physical properties of BiFeO3 thin films epitaxially grown on SrTiO3（001） and polar（111） surfaces

The influence of surface polarity on the structural properties of BiFeO3 （BFO） thin films is investigated. BFO thin films are epitaxially grown on SrTiO3 （STO） （100） and polar （111） surfaces by oxygen plasma-assisted molecular beam epitaxy. It is shown that the crystal structure, surface morphology, and defect states of BFO films grown on STO substrates with nonpolar （001） or polar （111） surfaces perform very differently. BFO/STO （001）is a fully strained tetragonal phase with orientation relationship （001）[100]BFOII（001）[100]STO, while BFO/STO （111） is a rhombohedral phase. BFO/STO （111） has rougher surface morphology and less defect states, which results in reduced leakage current and lower dielectric loss. Moreover, BFO films on both STO （001） and STO （111） are direct band oxides with similar band gaps of 2.65 eV and 2.67 eV, respectively.     

Fe/Si多层膜的层间耦合与界面扩散

对以本征Si及重掺杂ｐ型和ｎ型Si作为中间层的Fe/Si多层膜的层间耦合进行研究，并通过退火，增大Fe，Si之间的扩散，分析界面扩散对层间耦合的影响. 实验结果表明，层状结构良好的制备态的多层膜，Fe，Si之间也存在一定程度的扩散，它是影响层间耦合的 主要因素，远远超过了半导体意义上的重掺杂，使不同种类的Si作为中间层的层间耦合基本 一致.进一步还发现，在一定范围内增大Fe，Si之间的扩散，即使多层膜的层状结构已经有了相当的退化，Fe/Si多层膜的反铁磁耦合强度基本保持不变. 关键词： Fe/Si多层膜 层间耦合 界面扩散     

Nd2Fe14B化合物磁晶各向异性起源的理论研究

本文根据Nd₂Fe₁₄B化合物中存有少量巡游电子的基本实验事实,提出了在Nd₂Fe₁₄B中配位子所产生的晶场和巡游电子所产生的电场共同造成了Nd离子磁晶各向异性的理论模型。提出并解决了计算巡游电子同中心Nd离子相互作用的理论方法。在同时考虑Nd离子所受配位子的晶场和巡游电子的电场的作用情况下,用单离子模型计算了Nd₂Fe₁₄B中Nd离子所产生的磁晶各向异性及其随温度的变化。所 关键词：     

非晶态FeBSi/Si成份调制膜的磁性质和内转换电子Massbauer谱

采用高频溅射法成功地制成了非晶态FeBSi/Si成分调制膜,随Si层厚度增加,调制膜的饱和磁化强度成指数下降,这是死层效应引起的,Mossbauer谱测量表明,死层是由于界面处Fe和Si原子的互扩散而形成的顺磁性相,在非晶态FeBSi/Si成分调制膜中发现存在尺寸效应,它只与FeBSi层的厚度有关,而死层效应既与FeBSi层厚度有关,也与Si层厚度有关。     

边界条件与一维高分子系统的稳定性

讨论了SSH模型在一维有限系统上的稳定性，提出了几种稳定边界的办法，并对边界条件的作用进行了分析讨论 关键词：     

α-Fe_2O_3单离子磁晶各向异性的计算及Morin转变的解释

本文根据晶场理论计算了α-Fe_2O_3的单离子磁晶各向异性。采用点电荷模型,计及近邻及次近邻对晶场的贡献,并考虑到近邻O~(2-)离子对次近邻Fe~(3+)离子的电屏蔽效应,在六级微扰近似下,得到单离子各向异性场H_(si)=102.3×10~2Oe。这一结果结合Artman等人对磁偶极各向异性的计算,导出了α-Fe_2O_3的Morin转变温度T_M=261K,与实验很好地符合。对于低浓度掺杂的α-(Fe_(1-n)Al_n)_2O_3采用线性近似原理,得出了Morin转变温度随n的变化关系。这一结果不但解释了现有的实验事实,而且预示了Morin转变温度随n变化的规律。