应力作用对复合型多铁性材料BaTiO3-Fe磁电效应的影响

多铁性材料（multiferroic）是一种同时拥有铁电和铁磁性质的特殊功能型材料.室温下具有多铁性的单一化合物十分少见,但理论计算发现在铁电体（如BaTiO3,BTO）和3d过渡金属（如铁）的复合结构中存在较强磁电效应,这就为新型多铁性材料的寻找和制备揭示了新方向.用第一性原理方法,通过计算该类复合薄膜在不同应力作用下磁电效应的变化来揭示其铁电铁磁相互作用的机制.     

复合相多铁性陶瓷(1-x)BaTiO3-xCoFe2O4的制备和性质

为研究复合相多铁材料中的磁电耦合并寻找同时具有良好铁电性和磁性性质的复合相多铁性材料,采用固态反应法,制备了(1-x)BaTiO3-xCoFe2O4系列复合多铁性陶瓷.通过分析性质和成分之间的依赖关系,在实验上发现,在x=0.3附近,陶瓷表现出较好的室温铁电、压电和磁性性质,相关的铁电剩余极化值为4.5 μC/cm2,压电导数和机电耦合系数为73 pC/N和0.16,剩余磁化强度为6.7 emu/g.并且,在实验上观察到磁电耦合效应对宏观电、磁性质的影响.     

多铁材料

正多铁性材料同时具有铁电、反铁磁等多种铁性序,不同序参量间耦合作用可产生磁与电间的交叉调控,有望实现铁电性与磁性集成的新一代多功能器件,如新型磁电传感器件、自旋电子器件、高性能信息存储器件等。研究新一代多铁性磁电材料中各种相互作用和有序规律,利用材料基因组计划发现新的量子现象和调控方法,不仅是材料和物理学科自身发展的需求,并可能成为今后对人类社会经济发展有重大影响的基础科学问     

多铁和磁电材料的第一性原理研究（英文）

多铁材料是一类由自旋、电荷、晶格和轨道等多种自由度的相互作用引起的具有2种或者2种以上铁序的功能材料.近年来关于多铁性的报道屡见报端杂志,表明越来越多的研究人员关注着这一领域的研究进展.在这些研究成果中,第一性原理研究在解释实验观测,发现新物理机制和预测新型多铁、磁电材料方面都扮演着先锋角色.本文回顾了第一性原理在材料领域,尤其是多铁性、磁电效应和隧道结研究中的广泛应用和主要成果.结合最近发展的理论研究方法,例如选择性轨道加场法,评述了这些手段在解释多铁和磁电材料中奇异物理现象方面的有效性.由于电控磁性是多铁领域和自旋电子学领域追求的共同目标,因此总结了第一性原理研究在电控磁性方面所取得的成果.最后,本文概述了多铁和磁电材料在实际应用中亟待解决的问题,并且着重展望了若干种利于解决多铁和磁电材料领域实际问题的研究方法.本文通过深入探讨过渡金属氧化物中的铁电起源以及多铁体中铁电性和磁序的共存现象,期望能有益于新型多铁和磁电材料的探索.     

铁电-反铁电相界附近的PSZT系列陶瓷的电致伸缩效应

本工作研究了PbTiO_3-PbZrO_3-PbSnO_3三元系(简称PSZT)陶瓷系列在铁电-反铁电相界附近16种成份的电致伸缩效应.测量了各种成份样品的横向电致伸缩系数Q_(12)和一些样品的流体静压电致伸缩系数Q_h 以及纵向电致伸缩系数Q_(11).实验结果表明,靠近相界的铁电相材料有较大的Q_(12)值且随Sn 的含量增加而增大,而靠近相界的反铁电相材料的Q_(12)则非常小.由本系列材料测出的最大的电致伸缩系数Q_(11)=2.16×10~(-2)m~4/C~2,Q_(12)=-0.58×10~(-2)m~4/C~2.在本实验的各成份中,并没有发现“弥散型”相转变的特征.     

Ni/P(VDF-TrFE)的铁电性及磁电耦合效应

采用溶胶凝胶法和旋涂法在磁性金属镍片衬底上制备了有机铁电薄膜P(VDF-TrFE),利用X射线衍射仪及振动样品磁强计表征了Ni/P(VDF-TrFE)样品的晶体结构和金属镍片的磁学性质，结果表明，旋涂制备所得有机P(VDF-TrFE)薄膜结晶形成了β相，镍片的饱和磁场约为2 000 (kAm^-1/4π).利用静电计和锁相放大器，研究了样品的电学性质和不同磁场方向的磁电耦合效应.可以发现，金属镍片作为磁性衬底制备得到的Ni/P(VDF-TrFE)属于复合多铁性材料，该材料的磁电耦合效应具有各向异性，表现为平行方向大于垂直方向.实验所得结果为复合多铁性材料的制备和测试提供了重要的参考价值.     

国内首台“光刻机”将于今年12月诞生合肥

日前，由中科大量子信息重点实验室何力新教授领导的研究小组，应用计算机模拟的方法成功揭示复铁性材料铽锰氧中的巨磁电效应机制，为寻找新型多功能磁电材料提供指导。这项成果发表在最新的一期《物理评论快报》上，标志着我国科学家取得了复铁性材料理论研究的重大进展。     

磁电耦合对于多铁性材料CdCr2S4介电性质的影响

多铁性材料CdCr2S4在实验中被观测到的磁相变温度附近的介电异常现象,为一定温度区间内共存的弛豫铁电性和铁磁性提供了磁电耦合的依据。基于SRBRF模型和Heisenberg模型,我们提出形如 的磁电耦合形式,并计算出了最近邻磁自旋对关联 。最近邻自旋对关联 通过磁电耦合修正阻碍极化翻转的激活能的大小,使得被冻结在某一特定方向上的极化又能够在其它的可能取向上进行热翻转,改变了极化弛豫时间的分布,从而导致了介电性质在磁相变温度附近发生介电异常。同时,考虑磁场对介电性质的影响,得出的磁电容效应和实验数据很好吻合进一步证实了我们想法的正确性。     

薄膜厚度对1-3型BaTiO3-CoFe2O4多重铁性薄膜相变温度的影响

基于热动力学理论,通过对演化方程的线性稳定分析,确定了1-3型BaTiO3-CoFe2O4(BTO-CFO)多重铁性复合材料中的铁电、铁磁相变温度.考虑系统中基底与薄膜之间及薄膜内铁电相、铁磁相之间的内应力和外应力的弹性耦合,确立了顺电到铁电/铁磁地相变临界温度地解析式.临界温度与两相体积分数、基底、薄膜的晶格尺寸、薄膜两相的材料性能及薄膜厚度都有很大关系.两相的相变临界温度可以通过调节体积分数及薄膜厚度进行控制.     

用两带Ginzburg-Landau理论分析MgB_2的能隙

两带GL理论被应用于MgB_2的转变温度和能隙。理论结果和实验结果在高温区拟合得较好,在低温区,大能隙的理论结果和实验差距较大,这主要是由于GL理论只在T_c附近适用。同时,耦合的加入不仅使超导体实际的转变温度高于σ带和π带的本征转变温度,还增大了σ带和π带的本征能隙。     

镍金属的光电子光谱研究

光电子光谱实验对许多材料物理性质 的理论解释给予了验证。对于镍金属的电导性与磁场性质给出了实验上的解释。通过试验，清楚的看出镍金属的3d－4s杂化及其非常高的3d态密度。由于杂化使得3d带的空穴参与了导电过程，而高的态密度使其具有的有效质量。这些发现都对镍金属弱导电性的理论解释做了支持。此外，从自旋一极化光电子光谱实验也显示了理论上对铁磁性本质解释－分子场（交换场）的存在。并讨论 实验与理论结果的差异。     

Coexistence of ferromagnetism and metallic conductivity in a molecule-based layered compound

Crystal engineering--the planning and construction of crystalline supramolecular architectures from modular building blocks--permits the rational design of functional molecular materials that exhibit technologically useful behaviour such as conductivity and superconductivity, ferromagnetism and nonlinear optical properties. Because the presence of two cooperative properties in the same crystal lattice might result in new physical phenomena and novel applications, a particularly attractive goal is the design of molecular materials with two properties that are difficult or impossible to combine in a conventional inorganic solid with a continuous lattice. A promising strategy for creating this type of 'bi-functionality' targets hybrid organic/inorganic crystals comprising two functional sub-lattices exhibiting distinct properties. In this way, the organic pi-electron donor bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and its derivatives, which form the basis of most known molecular conductors and superconductors, have been combined with molecular magnetic anions, yielding predominantly materials with conventional semiconducting or conducting properties, but also systems that are both superconducting and paramagnetic. But interesting bulk magnetic properties fail to develop, owing to the discrete nature of the inorganic anions. Another strategy for achieving cooperative magnetism involves insertion of functional bulky cations into a polymeric magnetic anion, such as the bimetallic oxalato complex [MnIICrIII(C2O4)3]-, but only insoluble powders have been obtained in most cases. Here we report the synthesis of single crystals formed by infinite sheets of this magnetic coordination polymer interleaved with layers of conducting BEDT-TTF cations, and show that this molecule-based compound displays ferromagnetism and metallic conductivity.     

Observation of ferrotoroidic domains

Domains are of unparalleled technological importance as they are used for information storage and for electronic, magnetic and optical switches. They are an essential property of any ferroic material. Three forms of ferroic order are widely known: ferromagnetism, a spontaneous magnetization; ferroelectricity, a spontaneous polarization; and ferroelasticity, a spontaneous strain. It is currently debated whether to include an ordered arrangement of magnetic vortices as a fourth form of ferroic order, termed ferrotoroidicity. Although there are reasons to expect this form of order from the point of view of thermodynamics, a crucial hallmark of the ferroic state--that is, ferrotoroidic domains--has not hitherto been observed. Here ferrotoroidic domains are spatially resolved by optical second harmonic generation in LiCoPO4, where they coexist with independent antiferromagnetic domains. Their space- and time-asymmetric nature relates ferrotoroidics to multiferroics with magnetoelectric phase control and to other systems in which space and time asymmetry leads to possibilities for future applications.     

Superconductivity in the non-oxide perovskite MgCNi3

The interplay of magnetic interactions, the dimensionality of the crystal structure and electronic correlations in producing superconductivity is one of the dominant themes in the study of the electronic properties of complex materials. Although magnetic interactions and two-dimensional structures were long thought to be detrimental to the formation of a superconducting state, they are actually common features of both the high transition-temperature (Tc) copper oxides and low-Tc material Sr2RuO4, where they appear to be essential contributors to the exotic electronic states of these materials. Here we report that the perovskite-structured compound MgCNi3 is superconducting with a critical temperature of 8 K. This material is the three-dimensional analogue of the LnNi2B2C family of superconductors, which have critical temperatures up to 16 K (ref. 2). The itinerant electrons in both families of materials arise from the partial filling of the nickel d-states, which generally leads to ferromagnetism as is the case in metallic Ni. The high relative proportion of Ni in MgCNi3 suggests that magnetic interactions are important, and the lower Tc of this three-dimensional compound-when compared to the LnNi2B2C family-contrasts with conventional ideas regarding the origins of superconductivity.     

A coherent three-dimensional Fermi surface in a high-transition-temperature superconductor

All conventional metals are known to possess a three-dimensional Fermi surface, which is the locus in reciprocal space of the long-lived electronic excitations that govern their electronic properties at low temperatures. These excitations should have well-defined momenta with components in all three dimensions. The high-transition-temperature (high-T(c)) copper oxide superconductors have unusual, highly two-dimensional properties above the superconducting transition. This, coupled with a lack of unambiguous evidence for a three-dimensional Fermi surface, has led to many new and exotic models for the underlying electronic ground state. Here we report the observation of polar angular magnetoresistance oscillations in the overdoped superconductor Tl2Ba2CuO6+delta in high magnetic fields, which firmly establishes the existence of a coherent three-dimensional Fermi surface. Analysis of the oscillations reveals that at certain symmetry points, however, this surface is strictly two-dimensional. This striking form of the Fermi surface topography, long-predicted by electronic band structure calculations, provides a natural explanation for a wide range of anisotropic properties both in the normal and superconducting states. Our data reveal that, despite their extreme electrical anisotropy, the high-T(c) materials at high doping levels can be understood within a framework of conventional three-dimensional metal physics.     

Electric-field control of ferromagnetism

It is often assumed that it is not possible to alter the properties of magnetic materials once they have been prepared and put into use. For example, although magnetic materials are used in information technology to store trillions of bits (in the form of magnetization directions established by applying external magnetic fields), the properties of the magnetic medium itself remain unchanged on magnetization reversal. The ability to externally control the properties of magnetic materials would be highly desirable from fundamental and technological viewpoints, particularly in view of recent developments in magnetoelectronics and spintronics. In semiconductors, the conductivity can be varied by applying an electric field, but the electrical manipulation of magnetism has proved elusive. Here we demonstrate electric-field control of ferromagnetism in a thin-film semiconducting alloy, using an insulating-gate field-effect transistor structure. By applying electric fields, we are able to vary isothermally and reversibly the transition temperature of hole-induced ferromagnetism.     

二维材料偏振响应光电探测

各向异性二维材料由于其晶体结构的特殊性,在电学或者光学性质(如光致发光光谱、拉曼光谱、光吸收谱和电导率等)上表现出各向异性。这些性质引起了研究人员的广泛关注,特别是在光电探测方面的研究进展非常迅速,为其在光电器件的设计和开发中提供了巨大的应用潜力。文章从本征偏振探测和结构改进两方面综述了近几年来各向异性二维材料在偏振光电探测领域的发展和成果。首先阐述了各向异性二维材料的晶体结构特点和各向异性的来源,然后介绍了基于这类材料制备的多种偏振敏感光电探测器,接着提出了各向异性二维材料在光电探测应用上的重要性,最后基于现状提出了其所面临的挑战及机遇。     

Stacking of conical molecules with a fullerene apex into polar columns in crystals and liquid crystals

Polar liquid crystalline materials can be used in optical and electronic applications, and recent interest has turned to formation strategies that exploit the shape of polar molecules and their interactions to direct molecular alignment. For example, banana-shaped molecules align their molecular bent within smectic layers, whereas conical molecules should form polar columnar assemblies. However, the flatness of the conical molecules used until now and their ability to flip have limited the success of this approach to making polar liquid crystalline materials. Here we show that the attachment of five aromatic groups to one pentagon of a C(60) fullerene molecule yields deeply conical molecules that stack into polar columnar assemblies. The stacking is driven by attractive interactions between the spherical fullerene moiety and the hollow cone formed by the five aromatic side groups of a neighbouring molecule in the same column. This packing pattern is maintained when we extend the aromatic groups by attaching flexible aliphatic chains, which yields compounds with thermotropic and lyotropic liquid crystalline properties. In contrast, the previously reported fullerene-containing liquid crystals all exhibit thermotropic properties only, and none of them contains the fullerene moiety as a functional part of its mesogen units. Our design strategy should be applicable to other molecules and yield a range of new polar liquid crystalline materials.     

理论计算在GaN范德华异质结的光催化的研究进展

近年来,后石墨烯时代许多新型二维材料表现出优异的物理化学性能,同时以二维半导体材料为基础构建的二维范德华异质结复合材料为改善光催化剂性能开辟了新的研究方向。二维范德华异质结光催化剂可以增强对可见光的吸收和降低电子和空穴的复合,极大提升光催化性能。氮化镓（gallium nitride,GaN）材料具有禁带宽度大、电子漂移速度快、抗腐蚀性强和耐高温等优点,这为其作为半导体光催化剂提供了可能。介绍了光催化剂材料筛选和二维GaN基范德华异质结研究进展等,通过第一性原理密度泛函理论对二维GaN基异质结体系的光催化性质进行研究分析。     

二维功能材料的生物学效应

继石墨烯被发现以来,因其稳定的二维结构和独特的物理化学性质,在材料、能源、环境、生物等领域展现出广泛应用前景,也已成为纳米生物医学的研究热点,被用于生物传感、细胞成像、药物运输、组织工程等领域.随后,具有类似结构的相关二维功能材料的研究也层出不穷、备受关注.本文综述了以石墨烯为代表的二维功能材料的生物学效应,并作出展望.