一维铁磁/有机共轭聚合物的自旋极化研究

针对最近关于自旋注入有机体的实验研究，理论上计算了有机分子与磁性原子接触时的自旋极化现象.通过调节磁性原子的自旋劈裂强度，发现有机分子链内的自旋极化弱于金属链，但强于半导体链.同时还研究了有机分子链内自旋极化随电子-声子耦合强度的变化关系以及界面耦合的自旋相关效应. 关键词： 界面耦合 自旋极化 自旋劈裂     

有机自旋器件磁性渗透层中双极化子对自旋极化输运的影响

根据实验发现的有机器件如Co/有机半导体/La_0.7Sr_0.3MnO₃中磁性原子渗透现象, 利用自旋漂移-扩散方程, 理论研究了磁性渗透层中极化子-双极化子的转化对自旋极化输运的影响. 研究发现: 磁性渗透层具有不同于纯净有机层的迁移率和自旋反转时间, 都将影响极化子-双极化子的转化, 进而影响自旋极化的输运; 在磁性渗透层中极化子自旋反转时间的劈裂是引起自旋弛豫的主要因素, 而极化子和双极化子之间的转化是重要因素.     

LaFe11.5Si1.5中的磁不稳定性

通过对LaFe_11.5Si_1.5化合物进行自旋极化和固定磁矩(FSM)的能带 计算，发现LaFe_11.5Si_1.5化合物具有磁不稳定性的特征，无磁态和铁磁 态的能量 差别很小，FSM计算表明LaFe_11.5Si_1.5化合物具有低自旋态和高 自旋态的双 磁性态特征，在一定条件下能够在两磁性态之间发生变磁转变.通过计算的结果，定性地分 析了实验上所观察的一些现象. 关键词： 磁不稳定性 变磁转变     

磁性半导体/磁性d波超导结中的自旋极化输运

通过求解磁性d波超导中的能隙与磁交换能的自恰方程,利用推广的Blonder-Tinkham-Klapwijk 理论研究磁性半导体/磁性d波超导结中自旋极化准粒子输运系数与微分电导. 计算表明： 1) 磁性d波超导结中的磁交换能h₀可导致零偏压电导峰与能隙电导峰劈裂,劈裂的宽度为2h₀;2) 磁性半导体中的磁交换能h_FS可使零偏压电导峰劈裂的峰值变低. 而由能隙电导峰劈裂的两个子峰,当两种磁性材料的磁 关键词： 磁性半导体 磁性d波超导体 自旋极化输运     

纯有机聚合物磁性的模型研究

通过一个简单的紧束缚模型,初步研究了共轭有机聚合物的磁性问题.其中包括侧链基团与主链的共轭性对主链键序波的作用,电荷密度波的形成,次近邻跃迁和电子相互作用的影响等.特别针对有关聚乙炔侧链悬挂有机自由基团(CH₂)的具高自旋基态磁性聚合物(C₃H₃)_n的第一性原理计算结果,给出物理的解释和理解. 关键词：     

新超导体MgCNi3的虚晶掺杂研究

用全势线性缀加平面波方法,考虑局域自旋密度近似研究虚晶掺杂MgCNi₃的超导电性和磁性.计算了自旋极化能带结构、体弹性模量和它对压力的导数、原子磁矩m及其变化率.计算结果表明，对于电子掺杂的Mg_1-xAl_xCNi₃(0≤x≤0.5)，超导电性和磁涨落随掺杂量的增加逐渐减小.空穴掺杂的Mg_1-xNa_xCNi₃,在x＝0.12处出现铁磁相变，超导电性消失.在MgCNi₃少量空穴掺杂区域(0≤x<0.12)，表现为超导与磁涨落共存的不稳定状态. 关键词： 超导电性 能带结构 态密度 磁性     

准一维有机铁磁体的磁性机理研究

对准一维有机铁磁体ｐｏｌｙ－ＢＩＰＯ体系的磁性机理进行了研究。详细考虑了该体系中的电子跳跃、电子关联及派尔斯不稳定性，自洽地计算了其能带结构和自旋密度分布，并数值地研究了各因素对系统特性的影响。结果发现该体系基态为稳定的铁磁态． 关键词：     

自旋轨道耦合作用对碳纳米管电子能带结构的影响

本文考虑自旋轨道耦合作用的情况下,采用紧束缚近似螺旋对称模型计算了单壁碳纳米管的电子能带结构.研究发现:对于Armchair型单壁碳纳米管,自旋轨道耦合作用和弯曲效应共同导致了费米面Dirac点附近电子能带结构的能隙;对于Zigzag型和手性单壁碳纳米管,自旋轨道耦合作用使得电子最高占据态和最低未占据态产生能级劈裂,能级劈裂的大小不但与碳纳米管的直径和手性角密切相关,而且相对于费米面是不对称的;根据指数(n,m)可以将Zigzag型和手性单壁碳纳米管分为金属性碳纳米管(ν=0) 关键词： 单壁碳纳米管 自旋轨道耦合 紧束缚近似螺旋对称模型     

非闭环结构下有机磁性材料中的自旋密度波性质

研究了有机磁性聚合物ploy-BIPO链的封闭和非封闭结构对体系自旋密度（SDW)的影响.在开链情况下,自旋耦合与电子-电子相互作用对主链SDW的形成存在竞争,自旋耦合有利于SDW的形成;而电子-电子相互作用对SDW起到抑制作用.闭环下,没有得到这些结论. 关键词：     

Sb系half-Heusler合金磁性及电子结构的第一性原理研究

采用基于密度泛函理论的第一性原理方法,计算了Sb系half-Heusler合金XYSb(X=Ni,Pd,Pt;Y=Mn,Cr)的晶体结构、磁性及电子结构.计算结果表明,在平衡晶格常数下,合金NiMnSb为半金属,其他为金属.合金的总磁矩主要由Y元素自旋磁距贡献,随着元素X原子序数减小,费米能级移向自旋向下能带导带底;压缩使费米能级上移,远离Sb原子p能带,PtMnSb,PdMnSb与NiCrSb在压应力下可实现金属—磁性半金属转变. 关键词： 第一性原理 磁性 电子结构 金属—磁性半金属转变     

Magnetic properties of a quasi-one-dimensional organic ferromagnet

A quasi-one-dimensional alternating-spin Heisenberg model is used to describe the charge-transfer organic ferromagnet, which is studied by the Green's function method. The magnetic properties of the charge-transfer organic ferromagnet in different temperature regions are obtained. A formula for the critical temperature T_c is obtained and is found to be related to the spin of donors, to the intrachain exchange interaction, and to the spatial anisotropy parameter. This conclusion can explain T_c of the organic ferromagnet. The spatial anisotropy parameter of the organic ferromagnet [FeCp₂¹][TCNE] we obtained is consistent with the estimated value of Narayan et al. The Curie-Weiss temperature Θ for the organic ferromagnet [CrCp₂¹][TCNE] we obtained is Θ = 15.6 K which is near the experimental result of θ = 22±1 K.     

Structure of the magnetic-field-induced modulated phase of an α-Fe2O3: Ga single crystal

The field and orientational dependences of magnetic linear birefringence in α-Fe₂O₃: Ga single crystals are investigated. The experimental results make it possible to refine and specify the structure and reveal the features of technical magnetization of the modulated magnetic phase of this weak ferromagnet. It is shown that the model of the modulated magnetic structure used in this study adequately describes the experimental situation.     

Phase boundary between uniaxial and planar ferromagnets in layered perovskite manganite La2−2xSr1+2xMn2O7 (0.313⩽x⩽0.350)

We have examined magnetizations as a function of temperature and magnetic field in layered perovskite manganites La_2−2xSr_1+2xMn₂O₇ single crystals (x=0.313, 0.315, 0.318, 0.320 and 0.350) in order to determine the phase boundary between two ferromagnets (one is an uniaxial ferromagnet whose easy axis is parallel to the c-axis and the other is a planar ferromagnet whose easy axis is within the ab-plane) and following results are obtained: (i) all the present manganites exhibit magnetic transitions from a ferromagnet to a paramagnet at 76, 107, 116, 120 and 125 K for x=0.313, 0.315, 0.318, 0.320 and 0.350, respectively; (ii) for x=0.318, 0.320 and 0.350, the magnetic structure is a planar ferromagnet below Curie temperature; (iii) for x=0.313 and 0.315, the magnetic structure changes from an uniaxial to a planar ferromagnet at 66 and 85 K, respectively. From the results described above we have constructed the magnetic phase diagram of layered perovskite manganite La_2−2xSr_1+2xMn₂O₇ (0.313?x?0.350).     

Low-temperature heat capacity and magnetization of ferromagnets

The change in the magnetization of a ferromagnet due to disordering in the system of atomic magnetic moments with increasing temperature is put in correspondence with the change in the entropy of the magnetic subsystem. A relationship is obtained for calculating the magnetic component of the heat capacity of the ferromagnet, which satisfactorily describes the temperature dependence of the heat capacity for Fe, Co, TbB₂, and DyB₂ at low temperatures.     

Magnetic properties of the noncollinear phase of a FeBO<Subscript>3</Subscript>:Mg single crystal

The magneto-optical method is used to investigate magnetization and low-frequency magnetic susceptibility curves of the FeBO₃ single crystal doped with diamagnetic Mg ions. It is demonstrated that substitution of a fraction of Fe ions by the Mg ions in the structure of this easy-plane weak ferromagnet causes a significant intraplane magnetocrystalline anisotropy at low temperatures as well as different forms of magnetic hysteresis loops and field dependences of the magnetic susceptibility recorded for different orientations of the external magnetic field relative to the basal crystal plane. The established special features of the FeBO₃:Mg magnetic properties are explained by the transition of the magnetic crystal from the uniform to spatially modulated state during technical magnetization.     

Features of properties of microinhomogeneous PdMn<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Fe<Subscript>1− <Emphasis Type="Italic">x</Emphasis></Subscript> alloys

Complex investigation of the properties of PdMn _x Fe_{1? x} ternary alloys with interacting magnetic and structural order parameters has been performed. It is shown that the complex structural and magnetic state near the transition from the atomically ordered PdFe ferromagnet to the intermetallic antiferromagnetic PdMn compound leads to unusual features not only in magnetic and lattice characteristics but also in electronic properties.     

Entropy and magnetocaloric effects in ferromagnets undergoing first- and second-order magnetic phase transitions

The exchange striction model is invoked to derive an expression for the entropy of ferromagnetic materials undergoing first- and second-order magnetic phase transitions. The magnetocaloric and barocaloric effects are calculated for the ferromagnet La(Fe_0.88Si_0.12)₁₃ undergoing a first-order phase transition. The calculated results are in fair agreement with experimental data. The ferromagnet La(Fe_0.88Si_0.12)₁₃ is used as an example to predict the changes in magnetic and magnetocaloric properties associated with gradual increase in the magnetoelastic coupling constant (i.e., with passage from first- to second-order magnetic transition region). It is shown that stronger magnetoelastic coupling leads to stronger magnetocaloric effects and changes their dependence on magnetic field and pressure. Expressions are obtained for the maximum field- and pressure-induced entropy changes. An analysis is presented of the mechanism responsible for the increase in magnetocaloric and barocaloric effects associated with change from the second- to first-order magnetic phase transition.     

Effect of the transformation of the magnetic structure of a FeBO<Subscript>3</Subscript>:Mg crystal on its magnetooptical anisotropy

The field dependence of the magnetic linear birefringence (MLB) in easy-plane weak FeBO₃:Mg ferromagnet has been investigated. It is found that MLB nonmonotonically (stepwise) tends to a constant value with an increase in magnetic field at low temperatures. This feature of MLB in FeBO₃:Mg is related to the transformation of the crystal magnetic structure during magnetization.     

Critical behavior of specific heat and magnetic entropy of metallic ferromagnet CoS2

Magnetic contributions to specific heat and entropy have been measured of a metallic ferromagnet CoS₂. The critical exponent is anomalously large. The entropy change due to a magnetic ordering is 0.4 R In 2, which suggests an itinerant character of magnetic electrons.