Collapse of stiff conjugated polymers with chemical defects into ordered, cylindrical conformations

The optical, electronic and mechanical properties of synthetic and biological materials consisting of polymer chains depend sensitively on the conformation adopted by these chains. The range of conformations available to such systems has accordingly been of intense fundamental as well as practical interest, and distinct conformational classes have been predicted, depending on the stiffness of the polymer chains and the strength of attractive interactions between segments within a chain. For example, flexible polymers should adopt highly disordered conformations resembling either a random coil or, in the presence of strong intrachain attractions, a so-called 'molten globule'. Stiff polymers with strong intrachain interactions, in contrast, are expected to collapse into conformations with long-range order, in the shape of toroids or rod-like structures. Here we use computer simulations to show that the anisotropy distribution obtained from polarization spectroscopy measurements on individual poly[2-methoxy-5-(2'-ethylhexyl)oxy-1,4-phenylenevinylene] polymer molecules is consistent with this prototypical stiff conjugated polymer adopting a highly ordered, collapsed conformation that cannot be correlated with ideal toroid or rod structures. We find that the presence of so-called 'tetrahedral chemical defects', where conjugated carbon-carbon links are replaced by tetrahedral links, divides the polymer chain into structurally identifiable quasi-straight segments that allow the molecule to adopt cylindrical conformations. Indeed, highly ordered, cylindrical conformations may be a critical factor in dictating the extraordinary photophysical properties of conjugated polymers, including highly efficient intramolecular energy transfer and significant local optical anisotropy in thin films.     

磁性超晶格的静磁能和磁相图的唯像理论研究

计算了包含不同自旋取向的单畴粒子具有短程交换相互作用能,各向异性能及长程偶极相互作用能的磁性超晶格的静磁能,利用能面图和局域能量极小模型得到了磁相图和磁滞回线,研究了有限尺寸和温度效应,计算结果较好解释了在超薄磁性薄膜中观察到的两种磁相（磁化强度平行和垂直于薄膜平面）的转变行为。     

一维长程相互作用反铁磁伊辛系统的相变问题

用实空间重整化群方法研究了一维长程相互作用反铁系统。通过对递推公式的分析,发现此系统在有限温度下不发生相变,与铁磁情况形成鲜明对比。     

低温下的一维各向异性海森堡反铁磁体的磁性质(英文)

利用自旋波理论的方法研究了自旋S=1／2的一维各向异性海森堡反铁磁体的磁性质,推导得到了内能和比热与温度的关系：U（T）～Tα和Cm（T）～Tβ,同时研究还得出指数仅,届与各向异性参数、内磁场的关系．在零温和零磁场的条件下,计算得到基态能量和长程序,得出在各向异性参数值小于1时,长程序的值不会消失．在各向同性的情况下,长程序的结果与各向同性链模型的结果一致．     

液相法制备铁钴合金纳米线/棒

报道了一种简单的液相还原法制备铁钴合金纳米线/棒.以十六烷基三甲基溴化铵(CTAB)为表面活性剂,在90℃时利用水合肼还原Fe2 和Co2 的水和正辛烷的混合溶液得到铁钴合金纳米线/棒.所得样品经X-射线粉末衍射(XRD) ,透射电子显微镜(TEM) ,选区电子衍射(SAED)和振动样品磁强计(VSM)等表征,结果表明延长反应时间,一维铁钴合金纳米结构直径增大但长度没有明显变化,一维铁钴合金纳米材料的室温矫顽力高于体相铁钴合金.该铁磁性纳米线/棒有望应用于催化、生物技术和磁记录器件等领域.     

镍原子链磁性质的第一原理计算

采用基于密度泛函理论的第一原理方法,研究了自由空间中的一维镍原子链的结构稳定性和电子性质.计算结果发现,镍的线性和平面之字型一维链式结构和体金属镍一样,基态都表现出铁磁性,并且从三维的金属镍到二维平面之字型结构链再到一维线性原子链,体系磁性逐渐增强.通过对两种原子链态密度的分析发现,在低维状态下镍原子链不管是直线链还是之字型结构都有很高的自旋极化率,说明一维镍原子链在自旋电子器件方面有潜在的应用前景.     

具有长程相互作用XXZ铁磁体链的热力学性质

采用平均场Jordan-Wigner变换分析,研究外场中且具有Z方向均匀长程相互作用自旋-1/2 XXZ铁磁体链的热力学性质,得到了系统的亥姆赫兹自由能、内能、比热、磁化强度、磁化率等热力学量的解析表达式及其数值解,并讨论了有限温度时系统的相变.在退化条件下的结果与其他文献的结果相符.     

Beating the superparamagnetic limit with exchange bias

Interest in magnetic nanoparticles has increased in the past few years by virtue of their potential for applications in fields such as ultrahigh-density recording and medicine. Most applications rely on the magnetic order of the nanoparticles being stable with time. However, with decreasing particle size the magnetic anisotropy energy per particle responsible for holding the magnetic moment along certain directions becomes comparable to the thermal energy. When this happens, the thermal fluctuations induce random flipping of the magnetic moment with time, and the nanoparticles lose their stable magnetic order and become superparamagnetic. Thus, the demand for further miniaturization comes into conflict with the superparamagnetism caused by the reduction of the anisotropy energy per particle: this constitutes the so-called 'superparamagnetic limit' in recording media. Here we show that magnetic exchange coupling induced at the interface between ferromagnetic and antiferromagnetic systems can provide an extra source of anisotropy, leading to magnetization stability. We demonstrate this principle for ferromagnetic cobalt nanoparticles of about 4 nm in diameter that are embedded in either a paramagnetic or an antiferromagnetic matrix. Whereas the cobalt cores lose their magnetic moment at 10 K in the first system, they remain ferromagnetic up to about 290 K in the second. This behaviour is ascribed to the specific way ferromagnetic nanoparticles couple to an antiferromagnetic matrix.     

成份依赖的软磁材料CoFeB和CoFeSiB

采用磁控溅射技术制备了两种不同的富钴非晶磁性材料CoFeB和CoFeSiB.对它们的磁特性与成分的依赖关系以及作为磁性隧道结自由层的翻转特性进行了研究.在大块材料样品状态下(厚度约为1μm),CoFeB的矫顽力可达到2.51×10-2A/m,CoFeSiB则显示出1.25×10-2A/m的矫顽力.而对于磁性隧道结的磁电阻测量表明:CoFeB薄膜的自旋极化对钴含量非常敏感,从而导致隧道结磁电阻值也发生明显的变化.相比较而言,CoFeSiB的翻转特性由于钴含量的变化而受到很大影响,而自旋极化对钴含量的依赖不甚明显,在很高的钴含量(80%)时达到饱和.结果表明,通过适当的调整非金属元素Si和B的含量,可以很好的调整CoFeSiB的软磁性能而有望满足下一代高密度自旋电子学器件对于材料的苛刻要求.     

基于有机分子亚铁磁体棱型自旋链外场下的热力学性质研究

基于近来有机高分子亚铁磁体在试验上成功的合成，本文采用量子转移矩阵方法，研究一维反铁磁-铁磁自旋1／2棱型自旋链在外场条件下低温下的热力学性质．磁化强度在低温下随外场的变化出现台阶式的平台结构，并表现出三个临界外场值，反映了系统磁相互耦合作用与热力学波动间的相互竞争；同时磁化率在外场下呈现双峰结构，其来源于系统在外场下的能隙和长程序参量的变化．本文的数值结果表明该棱型链与自旋1-1／2海森堡链性质一致．     

不同气氛沉积和后退火处理的HfOx〈2薄膜的弱铁磁性

无磁性掺杂HfO2薄膜的室温弱铁磁性是2004年发现的一种不能用传统固体铁磁理论释的奇特磁现.本文用射频磁控溅射方法在不同气中制备和后退火HfOx薄膜样品,对比研究气对其室温弱铁磁性的影响.物析表明,室温沉积在蓝石衬底上的HfOx薄膜为部晶的单斜多晶薄膜,且存在一定程度的氧失配.室温磁性测量果显示HfOx〈2多晶薄膜具有典型的弱铁磁性磁化曲,且饱和磁矩具有各异性.对比实验果表明,缺氧气（纯氩或氩氮混合气）中沉积薄膜的和磁矩略大于富氧气（氩氧混合气）中沉积薄膜的和磁矩.缺氧气（纯氮和高真空）中后退火处理后,薄膜饱和磁矩随着退火温度的升高而增大;而纯氧气中后退火处理后,薄膜和磁矩大幅减小.沉积和后退火气中氧含量的高低对薄膜和磁矩的显影响表明氧空位是HfOx〈2薄膜弱铁磁性的要来源之一.     

二维磁性Heisenberg薄膜的自旋重取向和条形畴研究

利用Monte Carlo方法研究了二维磁性Heisenberg薄膜在有交换相互作用、各向异性、偶极相互作用等因素共同作用下的相变行为,重点讨论了薄膜的自旋重取向和磁畴的变化.模拟结果表明:在一定的参数范围内,随着温度的升高,系统的自旋取向将由垂直向平行于平面方向转变;系统在不同情况下出现了水平条形畴和垂直条形畴,并研究了交换相互作用、各向异性及温度对基态条形畴的影响.     

高密度磁记录纳米颗粒膜磁性的蒙特-卡罗模拟

用蒙特－卡罗方法对Co-C和CoPt-C纳米颗粒膜的磁特性进行模拟研究。模拟中，假设磁性颗粒为球形、单畴，易轴随机取向。对包含hcp结构、直径为3nm的Co颗粒的Co-C膜给出了湿度从3K到300K的磁滞回线，超顺磁驰豫的截止温度约20K；对包含fct结构CoPt的CoPt-C膜给出了300K时平均颗粒尺寸从4nm到6nm，对应于不同尺寸分布下的磁滞回线。模拟显示，由于fct结构CoPt-C有特大的各向异性，因而具备超高的矫顽力，可以满足超高密度磁记录的需要。以上模拟的结果与Co-C颗粒膜和CoPt-C颗粒膜的实验结果一致。     

退火时间对Co膜磁滞标度律的影响

采用磁控溅射法制备了多晶的Co薄膜,研究了退火时间对磁滞标度律的影响.实验结果表明,Co薄膜具有比较复杂的结构和沿膜面的易磁化方向,退火时间较长,具有更强的磁各向异性.     

一维铁磁和反铁磁链自旋运动能谱的计算方法

 提出了一种计算一维铁磁或反铁磁链自旋运动能谱的理论方法,这种方法的主要思想就是在希尔伯特空间寻找一组正交完备的基矢组,把哈密顿量写成矩阵形式,然后求解矩阵的本征值,从而确定自旋系统的能谱.其优点就是能较容易地把这种方法设计成程序由计算机来处理.这种方法也很容易推广到其它的磁系统.     

Relaxor ferroelectricity and colossal magnetocapacitive coupling in ferromagnetic CdCr2S4

Materials in which magnetic and electric order coexist--termed 'multiferroics' or 'magnetoelectrics'--have recently become the focus of much research. In particular, the simultaneous occurrence of ferromagnetism and ferroelectricity, combined with an intimate coupling of magnetization and polarization via magnetocapacitive effects, holds promise for new generations of electronic devices. Here we present measurements on a simple cubic spinel compound with unusual, and potentially useful, magnetic and electric properties: it shows ferromagnetic order coexisting with relaxor ferroelectricity (a ferroelectric cluster state with a smeared-out phase transition), both having sizable ordering temperatures and moments. Close to the ferromagnetic ordering temperature, the magnetocapacitive coupling (characterized by a variation of the dielectric constant in an external magnetic field) reaches colossal values, approaching 500 per cent. We attribute the relaxor properties to geometric frustration, which is well known for magnetic moments but here is found to impede long-range order of the structural degrees of freedom that drive the formation of the ferroelectric state.     

Spontaneous skyrmion ground states in magnetic metals

Since the 1950s, Heisenberg and others have addressed the problem of how to explain the appearance of countable particles in continuous fields. Stable localized field configurations were searched for an ingredient for a general field theory of elementary particles, but the majority of nonlinear field models were unable to predict them. As an exception, Skyrme succeeded in describing nuclear particles as localized states, so-called 'skyrmions'. Skyrmions are a characteristic of nonlinear continuum models ranging from microscopic to cosmological scales. Skyrmionic states have been found under non-equilibrium conditions, or when stabilized by external fields or the proliferation of topological defects. Examples are Turing patterns in classical liquids, spin textures in quantum Hall magnets, or the blue phases in liquid crystals. However, it has generally been assumed that skyrmions cannot form spontaneous ground states, such as ferromagnetic or antiferromagnetic order, in magnetic materials. Here, we show theoretically that this assumption is wrong and that skyrmion textures may form spontaneously in condensed-matter systems with chiral interactions without the assistance of external fields or the proliferation of defects. We show this within a phenomenological continuum model based on a few material-specific parameters that can be determined experimentally. Our model has a condition not considered before: we allow for softened amplitude variations of the magnetization, characteristic of, for instance, metallic magnets. Our model implies that spontaneous skyrmion lattice ground states may exist generally in a large number of materials, notably at surfaces and in thin films, as well as in bulk compounds, where a lack of space inversion symmetry leads to chiral interactions.     

Modulating the magnetic relaxation of lanthanide-based single-molecule magnets

In the area of molecular magnetism,single molecule magnets (SMMs) containing lanthanide elements are of immense scientific and technological interest because of their large energy barriers and high measured hysteresis temperature.Although there has been significant progress in the synthesis and characterization of lanthanide-based SMMs,there are still challenges,for instance,how single-ion anisotropy of lanthanide elements can be exploited,and how zero-field tunneling of magnetization can be suppressed.This article is devoted to the progress in various methodologies for modulating magnetic relaxation,especially in terms of crystal field and magnetic interactions.The crystal field plays a dominant role in creating single-molecule magnets with largely anisotropic f-elements,while the strong coupling between magnetic centers is able to suppress quantum tunneling of magnetization efficiently.     

La_(0.5)Ca_(0.5)MnO_3纳米颗粒的铁磁相变临界行为研究

La0.5Ca0.5MnO3块体陶瓷表现出电荷有序态特性,但是当La0.5Ca0.5MnO3颗粒减小后电荷有序态将被破坏.本文采用磁测量法研究了La0.5Ca0.5MnO3纳米颗粒的铁磁相变临界行为.结果表明La0.5Ca0.5MnO3纳米颗粒的铁磁相变临界行为可用平均场模型很好地拟合,意味着La0.5Ca0.5MnO3纳米颗粒的铁磁相变为长程有序作用特征.输运行为表明,外加磁场可诱导La0.5Ca0.5MnO3纳米颗粒产生绝缘体-金属转变,可归因于外加磁场使得晶界势垒降低所致.