氧气分压对TiO2薄膜结构、磁性及输运性质的影响

采用脉冲激光沉积技术在LaAlO_3(100)基片上制备了TiO_2薄膜,研究了氧气分压对薄膜结构、磁性与输运性质的影响.结构测量表明,TiO_2薄膜的结构与沉积过程中的氧气分压有关,氧气分压的增大有利于薄膜向锐钛矿相转变.磁性测量表明,在较高的氧气分压下制备的TiO_2薄膜表现为顺磁性,在较低氧气分压下制备的TiO_2薄膜表现出明显的室温铁磁性,其铁磁性与氧空位有密切关系.输运测量进一步表明,TiO_2薄膜表现为半导体导电特性,在具有铁磁性的薄膜中还观察到了低温磁电阻效应.     

高温超导量子干涉器件在磁性粒子标记免疫测定中的应用

具有超顺磁特性的Fe3O4纳米磁性粒子在外场中被极化时会产生沿极化方向的宏观磁矩,当撤销极化磁场后,利用高灵敏的高温超导量子干涉仪(SQUID)测量磁性粒子的磁弛豫行为.由于小尺度的磁性粒子磁性衰减很快,其行为遵循布朗弛豫;相较而言,通过生物待标记物连接的较大尺度磁性粒子或发生偶连的磁性团簇磁性衰减较慢,满足尼尔弛豫的条件.根据磁性颗粒的磁弛豫特性配合超导SQUID的低噪声实现对磁性粒子标记的微量生物待标记物的免疫检测.分别对平均尺寸为144nm的聚苯乙烯磁珠和406nm的二氧化硅磁珠的磁性衰减信号进行测量,得到了一些初步的实验结果.前者聚苯乙烯磁珠样品因磁珠尺寸太小,磁弛豫太快,未见明显的响应曲线;而后者的弛豫曲线遵循尼尔弛豫指数关系.结果表明粒子的有效弛豫依赖于磁性团簇的尺度.并且通过加大极化场,可以增强磁珠的尼尔弛豫信号,提高测量灵敏度。     

Fe掺杂ZnO块材样品的结构、形貌及磁性

采用共沉淀法在O2、Air、Ar等不同气氛下制备了名义组分为Zn0.98Fe0.02O的系列块材样品,实验上研究了烧结气氛对样品结构、形貌及磁性质的影响.XRD和SEM结果均显示,在Air和O2气氛中烧结的样品中缺陷较少,具有更好的结晶性.磁测量结果表明,在Air和O2氛中烧结的样品则未表现出明显的磁性特征,而在Ar气氛中烧结的样品在室温下呈现出弱铁磁性行为.样品中的弱铁磁性可能来源于与氧空位有关的束缚磁极化子间的铁磁耦合作用.该样品的HC和MR在低温下表现出反常变化,可能与磁畴壁移动有关.     

磁性液体静音水泵的实验研究

针对常规水泵振动和噪声较大的现状,设计了利用磁性液体场致软磁特性解决机械振动和噪声的磁性液体静音水泵,通过实验测量得出机械效率与磁性液体的磁饱和强度成正比,采用GBT 13802-1992工程机械辐射噪声测量的通用方法测量出磁性液体静音水泵工作时的噪声声级为25.0dB,与普通离心泵相比降低了44.8dB.     

磁性液体表观密度随磁场变化测量仪的研制

利用自制的磁性液体研制出测量固、液两相胶体溶液磁性液体表现密度的测量装置并给出了测量方法和测量原理．该装置既能测量磁性液体中不同液层的表观密度，也能测量磁性液体中某点的表观密度随磁场变化的规律．     

Si被注入Gd后的磁性及其整流特性的研究

采用离子束技术，在n型硅基片中注入稀土元素钆，制备了磁性-非磁性p-n结.磁性层Gd_xSi_1-x表现出优良的磁学性能，高居里温度，高原子磁矩(利用RKKY模 型 可以得到解释)，低矫顽力，并保持着半导体的属性，磁性-非磁性p-n结具有整流特性，但 没有观察到明显的磁电阻效应. 关键词： 磁性半导体 磁性p-n结 钆的硅化物 离子束外延     

Zr-Ni合金的巡游电子磁性

用交流互感电桥测量了低温下非晶Zr_(1-x)Ni_x合金(x=0.24,0.36,0.50,0.64)的磁化率,对此类合金的磁性来源进行了探讨,提出Zr-Ni合金的低温磁化率中巡游电子磁性的贡献。Zr_(0.64)Ni_(0.36)在低温下表现出最明显的Curie-Weiss定律,其低温磁化率最大与合金的其它性质如密度、杨氏模量随Ni含量的变化在40％Ni附近的转折有联系。     

极端条件下物质磁性的原位测量

温度和压力均是决定物质存在状态的基本热力学要素.低温和高压是现代科学实验最重要的极端条件,为物理、化学、材料和生物等多学科研究提供了新途径,对于发现和认识新现象、揭示新规律具有重要作用.极端条件下物质的磁性研究是极端条件研究的重要分支,不仅给出了物质在极端条件下的磁性变化,而且是研究高温超导体的重要手段.本文阐述了高压下物质磁化率和超导转变温度测量的原理和方法,并简要介绍了设计、搭建的低温高压下物质磁性原位测量系统.利用此系统测量了铁在高压下的磁性转变以及钇钡铜氧样品在高压下的超导转变温度.     

过渡金属掺杂β-GeS的电子性能和光学性质的第一性原理研究

运用第一性原理计算方法系统研究了二维单层β-GeS中取代掺杂不同3d过渡金属原子时体系磁性、能带结构和光学性质的变化.结果表明：相比于本征非磁性β-GeS,取代掺杂Ti～Cu导致β-GeS具有磁性,且磁矩呈现出先增加后减小的变化趋势;掺杂后体系能带结构发生明显变化,分别表现出金属,半金属和半导体性质,而且导带底的位置明显向Fermi能级方向移动.相比于本征体系,非本征体系的光学性质表明：其在一定波段范围内出现蓝移现象以及光响应强度发生变化,且掺杂前后体系均表现出高的各向异性.     

N掺杂对α-石墨炔表面吸附H_2O,H,O和OH的电子性质和磁性的影响

石墨炔是一种新型的二维(2D)碳的同素异形体,炔键单元的高活性使其在小分子吸附方面相比石墨烯更具优势.本文基于密度泛函理论(DFT),研究了H_2O和H、O及OH分别在原始的和掺杂了N原子的α-石墨炔上的相互作用.研究结果表明,N掺杂和小分子吸附能够改变α-石墨炔的电子结构和磁性. N原子掺杂后α-石墨炔对小分子的吸附能力明显增强. H、O原子和OH吸附在N原子掺杂体系前后表现出明显的磁性差异:H原子和OH吸附在纯净的α-石墨炔上体系显示磁性,N原子掺杂后,磁性消失;而O原子则是吸附在纯净的α-石墨炔上未表现出磁性,N原子掺杂后,体系出现磁性.此外,α-石墨炔对水分子的吸附作用较弱,受范德瓦耳斯作用影响较大,属于物理吸附.本研究将为α-石墨炔中N杂质检测以及α-石墨炔基气体传感器的设计研究提供新的思路.     

Magnetism of Mg atomic chains on the NaCl(100) surface

Based on the first-principles calculations within the density-functional theory, we have investigated the magnetism of 1D Mg nanowires, both unsupported and supported by the NaCl(100) surface. It is shown that Mg can exhibit magnetism in both the geometry of linear and zigzag chains. The freestanding Mg linear chain shows magnetization when the bonds are compressed. For an Mg zigzag chain, however, ferromagnetism is predicted at the equilibrium bond length. It is found that the magnetism of Mg chains can be maintained when deposited on the NaCl(100) surface. We have also analyzed the results by using the Stoner theory and the calculated electronic band structures.     

氧化镁纳米多晶的微结构和磁性

实验发现,宏观晶体是非磁性的氧化镁时,其多晶样品有弱铁磁性.本文用第一性原理电子结构方法研究了氧化镁表面、纳米颗粒和晶界的磁性.计算结果表明:绝缘的氧化镁表面可以是导电的,并且有与之相关的铁磁性;磁性表面的共同特征是在表面上有氧原子富集,包括(111)表面的纯氧原子层,(114)表面的氧原子链;其他高晶面指数表面也会有氧原子富集区域;氧化镁纳米颗粒的磁性出现在高晶面指数表面以及不同晶面交界的棱及其顶角等有氧原子富集的区域,这种由氧原子富集而形成的磁性有巡游特征.氧化镁Σ7[111]和Σ5[001]晶界的计算结果表明:在没有氧原子富集的情况下,多晶样品中晶界的磁性很弱,而在有氧原子富集的情况下,晶界磁性比较强.因此可以推断多晶样品的磁性主要出现在多晶表面、晶粒包围孔隙、微裂纹界面、晶界和其他晶体缺陷等有氧原子富集的区域.这种残余磁性可以通过热处理等结构优化过程而削弱甚至消除.     

Dynamical signatures of edge-state magnetism on graphene nanoribbons

We investigate the edge-state magnetism of graphene nanoribbons using projective quantum Monte Carlo simulations and a self-consistent mean-field approximation of the Hubbard model. The static magnetic correlations are found to be short ranged. Nevertheless, the correlation length increases with the width of the ribbon such that already for ribbons of moderate widths we observe a strong trend towards mean-field-type ferromagnetic correlations at a zigzag edge. These correlations are accompanied by a dominant low-energy peak in the local spectral function and we propose that this can be used to detect edge-state magnetism by scanning tunneling microscopy. The dynamic spin structure factor at the edge of a ribbon exhibits an approximately linearly dispersing collective magnonlike mode at low energies that decays into Stoner modes beyond the energy scale where it merges into the particle-hole continuum.     

Spin filtering and large magnetoresistance behaviors in carbon chain-zigzag graphene nanoribbon nanojunctions

Using the non-equilibrium Green's function method combined with the density functional theory, we investigate the electron and spin transport properties of carbon chains covalently connected with zigzag-edged graphene electrodes at finite bias with the parallel (P) and antiparallel (AP) magnetism configurations. When two zigzag-edged graphene electrodes are H2–ZGNR–H structures, spin filtering effect can be realized only with AP magnetism configuration. While one electrode is replaced with the H–ZGNR–H structure, we observe a dual spin filtering effect with above two magnetism configurations. But the spin transport properties of carbon chains can also be affected by the linking way of the carbon chain ends. Deeper analyses show that the spin-related properties are related to the electrodes, magnetism configurations, and the connection structure between electrodes and carbon chains.     

Orbital magnetism: pros and cons for enhancing the cluster magnetism

The discrepancy seen in the experimental and theoretical results on the magnetic moment of a small magnetic cluster has been attributed to the contribution arising from orbital magnetism. In this Letter we show that the magnetic states with large orbital magnetic moment are not always energetically favorable; they could, however, be realizable by coating the cluster or deposing it on appropriate substrates. More importantly, our work shows that the crucial factors that determine the cluster magnetism are found to be the intrinsic, and consequently, the extrinsic properties of the constituent atoms of the cluster.     

Itinerant electron surface magnetism

Although many experiments have been applied to study the surface magnetism, only a few give a direct and unambiguous answer to a so simple question as “what is the value of the surface magnetic moment”. Some examples of all these experiments are reviewed to show the main differences between two- and three-dimensional magnetism. Then we show that the magnetic moment can be enhanced near the surface in itinerant electron magnetism. This may be the case of He₃ atoms in confined geometries, or of transition metal surfaces or more generally when the local surface density of states at the Fermi level is much larger than the bulk one.     

Correlations between magnetic properties and bond formation in Rh-MgO(0 0 1)

We present the results of first principles calculations for the magnetism of Rh adlayers on MgO(0 0 1), at three different adsorption sites and three different coverages, corresponding to 1, 1/2 and 1/8 monolayers. Finite magnetization is found in all cases except that of one Rh monolayer above the oxygen site, which is also the most stable. We examine how the magnetization changes as a function of the Rh-surface distance and relate this to changes in the real-space charge density and in the density of states (DOS) as the Rh adlayer interacts with the surface. We find that increasing either the Rh-Rh interaction strength or the Rh-surface interaction strength leads to reduced magnetization, while increasing the former drives a crossover from localized (atomic) to itinerant magnetism. Neither the magnetic transition itself, nor the localized-to-itinerant magnetism crossover, is found to be directly related to the formation of Rh-surface bonds. From a practical point of view, we predict that magnetism in the Rh-MgO(0 0 1) system is most likely to be found experimentally at reduced coverages and at low temperatures.     

Stepping Stone Mechanism: Carrier-Free Long-Range Magnetism Mediated by Magnetized Cation States in Quintuple Layer

The long-range magnetism observed in group-V tellurides quintuple layers is the only working example of carrierfree dilute magnetic semiconductors(DMS), whereas the physical mechanism is unclear, except the speculation on the band topology enhanced van Vleck paramagnetism. Based on DFT calculations, we find a stable longrange ferromagnetic order in a single quintuple layer of Cr-doped Bi_2Te_3 or Sb_2Te_3, with the dopant separation more than 9 ?. This configuration is the global energy minimum among all configurations. Different from the conventional super exchange theory, the magnetism is facilitated by the lone pair derived anti-bonding states near the cations. Such anti-bonding states work as stepping stones merged in the electron sea and conduct magnetism.Further, spin orbit coupling induced band inversion is found to be insignificant in the magnetism. Therefore, our findings directly dismiss the common misbelief that band topology is the only factor that enhances the magnetism.We further demonstrate that removal of the lone pair derived states destroys the long-range magnetism. This novel mechanism sheds light on the fundamental understanding of long-range magnetism and may lead to discoveries of new classes of DMS.     

Permanent magnetism in phosphine- and chlorine-capped gold: from clusters to nanoparticles

Magnetometry results have shown that gold NPs (∼2 nm in size) protected with phosphine and chlorine ligands exhibit permanent magnetism. When the NPs size decreases down to the subnanometric size range, e.g. undecagold atom clusters, the permanent magnetism disappears. The near edge structure of the X-ray absorption spectroscopy data points out that charge transfer between gold and the capping system occurs in both cases. These results strongly suggest that nearly metallic Au bonds are also required for the induction of a magnetic response. Electron paramagnetic resonance observations indicate that the contribution to magnetism from eventual iron impurities can be disregarded.     

Magnetic properties of C60 polymers

Magnetic properties of various C60 polymers are calculated using tight-binding molecular-dynamics and ab initio methods. Our results suggest a mechanism involving an interplay between structural defects and sp(3) hybridization to be responsible for the origin of this magnetism. The onset of magnetism is found to occur much more readily for the Rh-C60 polymeric phase with defects than for any of the other polymers, in agreement with the recent experiment. Our estimate of the magnetic moment is also in very good agreement with the value observed in experiment.