钙钛矿(La1-yTby)0.67Sr0.33MnO3的超巨磁电阻效应

采用固相反应烧结法制成了钙钛矿(La_1-yTb_y)_0.67Sr_0.33MnO₃(y=0—1)多晶样品.研究了样品的微观结构,常温、低温下的磁性,样品的磁电阻随温度、成分的变化关系,电阻随温度变化特性等.并在y=0.40样品中,170K附近、最大磁化场为7T时,观察到了900%的巨磁电阻. 关键词：     

(CH3)2和(NH2)2基团修饰的齐聚苯乙炔分子电子输运性质研究

采用密度泛函理论和非平衡格林函数相结合的方法研究了S原子作为单、双端基的(CH₃)₂-OPE (齐聚苯乙炔)和(NH₂)₂-OPE分子在金电极间的电子输运性质. 通过第一性原理优化计算获得分子部分稳定结构, 再置于Au电极之间构成两极系统, 然后再优化整个两极系统获得稳定结构. 另外, 通过非平衡格林函数方法计算了两极系统的电子输运性质. 计算结果表明, 不同的修饰基团和桥接方式可以导致两极系统的开关效应、负微分电阻行为和整流行为等不同的电子输运性质. 通过计算不同偏压下的分子体系投影轨道电子分布、透射谱、态密度, 对这些新异的电输运性质出现的机理进行了解释.     

［Mg(NH2)2］n(n=1—5)团簇的密度泛函理论研究

用密度泛函理论的杂化密度泛函B3LYP方法在6-31G^*基组水平上对［Mg(NH₂)₂］_n(n=1—5)团簇各种可能的构型进行几何结构优化,预测了各团簇的最稳定结构.对最稳定结构的振动特性、成键特性、电荷特性等进行了理论研究.结果表明：团簇易形成链状结构,Mg—N键长为0.190—0.234 nm,N—H键长为0.101—0.103 nm,H—N—H键角为100.2°—107.5°;团簇中M 关键词： 2)₂］_n(n=1—5)团簇')" href="#">［Mg(NH₂)₂］_n(n=1—5)团簇 密度泛函理论 结构与性质 储氢材料     

Er2(Fe1-xCox)15Ga2化合物的磁晶各向异性

通过X射线衍射和磁性测量等手段研究了Er₂(Fe_1-xCo_x)₁₅Ga₂化合物的结构与磁性，重点讨论了它们的磁晶各向异性.实验结果表明，Er₂(Fe_1-xCo_x)₁₅Ga₂化合物均为Th₂Ni₁₇型六角结构，晶格常数a,c和单胞体积V随Co含量的 关键词：     

Fe(NH2trz)3·(BF4)2掺杂聚芴的有机电致发光器件

对于RGB有机电致发光器件(OLEDs),蓝光非常重要.在现有各种蓝光材料中,聚芴(PFO)非常稳定且荧光量子效率可达80%,但它有一个非常大的缺点:电致发光会产生异常绿光带.这严重影响了PFO相关器件的饱和色纯度.本文使用分子基磁性材料Fe(NH₂trz)₃·(BF₄)₂掺杂PFO方法,解决了这一难题.以ITO为衬底,制作了结构为ITO/PEDOT:PSS/PFO:Fe(NH₂trz)₃·(BF₄)₂/CsCl/Al的器件.报道了利用Fe(NH₂trz)₃·(BF₄)₂特殊的电子自旋态调制PFO的光电特性,实现了PFO的强烈纯正蓝光发射.详细研究了Fe(NH₂trz)₃·(BF₄)₂对PFO光电特性的影响.在4 V至9 V电压的偏置下,没有Fe(NH₂trz)₃·(BF₄)₂的器件,发出特别异常的绿光.然而,与此形成明显对照的是:Fe(NH₂trz)₃·(BF₄)₂掺杂的器件发出强烈的本征蓝光;PFO绿色发光带被成功压制;随着电压的变化,器件光谱的蓝光部分在整个EL谱所占比例没有改变.运用光电磁一体化测量技术,进一步研究了PFO掺杂Fe(NH₂trz)₃·(BF₄)₂器件的磁发光(MEL)和磁电导(MC)效应.发现PFO:Fe(NH₂trz)₃·(BF₄)₂和纯PFO薄膜内都没有激基缔合物产生.运用发光动力学理论,分析了Fe(NH₂trz)₃·(BF₄)₂阻断PFO异常绿光发射的机理.     

金属玻璃(Cu1-xNix)33Zr67合金的低温电阻率

本文研究了金属玻璃(Cu_1-xNi_x)₃₃Zr₆₇合金的低温电阻输运特性。在较宽的温区(2—273K)测试了电阻率,测量结果符合Mooij判据。样品电阻率随温度的变化行为与双能级隧道模型符合较好。 关键词：     

钙钛矿(C6H5CH2NH3)2PbBr4拉曼光谱研究

运用激光拉曼光谱实验和密度泛函理论计算研究了450～1 700 cm-1光谱范围内有机-无机杂化钙钛矿材料(C₆H₅CH₂NH₃)₂PbBr₄的振动模式特性。对比实验所得拉曼光谱和理论计算所得拉曼光谱,发现密度泛函理论计算可以很好的模拟(C₆H₅CH₂NH₃)₂PbBr₄有机部分的分子振动模式。同时通过比较分析密度泛函理论计算和参考文献,对450～1 700 cm-1光谱范围内的拉曼峰的分子振动模式进行了初步的归属,并发现该光谱范围内的拉曼峰主要是由(C₆H₅CH₂NH₃)₂PbBr₄分子中有机部分振动所产生的。     

用多步激发技术测定锶的(5p3/2ns)1及(5p3/2nd)3自电离谱

用分步激发方法及偏振光技术,测定了锶的(5p_3/2ns)₁(n=13-21)及(5p_3/2 nd)₃(n=13-24)各自电离谱,在低于5p_1/2电离限的(5p_3/2ns)₁态的实电子激发谱中,出现对应于(5p_1/2ns)₁及(5p_1/2nd)₁的畸变峰,畸变峰也出现于(5p_3/2nd)₃的实电子激发谱中。这说明(5p_jns)(5p_jnd)自电离系列间存在相互作用。 关键词：     

Li2O-2B2O3熔体的物性研究

系统测量了四硼酸锂(Li₂Ｏ-２Ｂ_２Ｏ_３)熔体的密度ρ、表面张力γ随着温度的变化规律，实验结果表明在1100K到1500K范围内Li₂Ｏ-２Ｂ_２Ｏ_３高温熔体的密度和表面张力随着温度的升高均线性减小.通过实验数据拟合得出熔体密度与温度关系为ρ(T)=2.574—4.89×１０^－４T，熔点处Li₂Ｏ-２Ｂ_２Ｏ关键词： 功能晶体 四硼酸锂 密度 表面张力     

Li2K(IO3)3与Li2NH4(IO3)3的晶体结构

本文用X射线粉末法测定了Li₂K(IO₃)₃与Li₂NH₄(IO₃)₃的晶体结构和原子参数。发现Li₃K(IO₃)₃,Li₂NH₄(IO₃)₃与Li₂Rb(IO₃)₃同晶型,属单斜晶系,空间群为P2₁/α,每个单胞含有四个化合式量。室温的点阵常数分别为α=11.198?,b=11.046?,c=8.254?,β=111.53°,及α=11.327?,b=11.078?,c=8.341?,β=111.87°。讨论了二元化合物的形成与离子半径的关系。 关键词：     

退火对Co35(SiO2)65颗粒膜巨磁电阻效应的影响

采用多靶离子束溅射镀膜机制备了一系列不同退火温度的Co₃₅(SiO₂)₆₅（体积百分数）颗粒膜样品,发现样品的巨磁电阻效应随着退火温度T_a的升高而单调下降.应用磁力显微镜对样品的磁结构进行了观测,发现随着退火温度的升高,近邻的Co颗粒的磁矩倾向于平行排列,形成磁畴结构,从而导致Co₃₅(SiO₂)₆₅颗粒膜巨磁电阻效应单调下降. 关键词：     

Magnetic susceptibility studies of (CH2)3(NH3)2FeCl2Br2 and (CH2)6(NH3)2FeCl2Br2

The magnetic susceptibility of the layered compounds (CH₂)₃(NH₃)₂FeCl₂Br₂ and (CH₂)₆(NH₃)₂FeCl₂Br₂ has been measured in the range 80 < T < 300 K. The results follow a Curie-Weiss behavior in the range 120 < T < 300 K but are field dependent for T < 120 K. The results are interpreted in terms of a two-dimensional antiferromagnetic interaction which is canted. A comparison with the corresponding pure chloride compounds is given.     

Chlorine K X-ray absorption-edge structures of CIS-[Pt(NH3)2Cl2], trans-[Pt(NH3)2Cl2], trans-[Pd(NH3)2Cl2] and (NH4)2PdCl4

The K absorption-edge spectra of the ligand chlorine ion in square-planar complex compounds cis- and trans-[Pt(NH₃)₂Cl₂], trans-[Pd(NH₃)₂Cl₂], and (NH₄)₂PdCl₄ are reported and discussed in connection with the chlorine K absorption spectra of K₂PtCl₄ and K₂PdCl₄, reported previously. The observed chemical shift of a white line at the absorption threshold is interpreted in terms of the difference of the ligand-field splitting of electronic states for metal ions. The white line is attributed to the electronic transition from the Cl^? ls level to the lowest unoccupied antibonding molecular orbital (MO), which is specified by a $\text{MO}\text{b}{}_{\mathrm{1g}}\text{(σ}{}^1\text{)}$ in the square-planar complex with D_4h symmetry. The other absorption structures are regarded as continuum “shape resonances” of the outgoing electron trapped by the cage of the surrounding atoms. The effect of geometrical isomerism is found in the chlorine K absorption spectra of cis- and trans-[Pt(NH₃)₂Cl₂].     

Metastable structure and properties of (La0.73Bi0.27)0.67Ca0.33MnO3

The electrical transport and magnetic properties of high Bi doped (La_0.73Bi_0.27)_0.67Ca_0.33MnO₃ are studied at the temperature and magnetic field ranges from 10 to 300 K and 0 to 3 T. Significant temperature and magnetic field hystereses are observed in both resistivity and magnetization measurements. Meanwhile, an enhanced magnetoresistance effect, within a wide temperature window, is obtained in the (La_0.73Bi_0.27)_0.67Ca_0.33MnO₃. The hysteresis and enhanced magnetoresistance are discussed based on an inhomogeneous metastable structure related to the Bi dopant.     

High field Shubnikov-De-Haas effect and magnetoresistance in the organic metal (TMTSF)2 ClO4

The transverse magnetoresistance of (TMTSF)₂ ClO₄ has been investigated in magnetic fields up to 32 T at several temperatures down to 4.2 K and different angles between B and the crystalline axis. Shubnikov-de-Haas oscillations are observed directly on the magnetoresistance at fields higher than 10 T giving a fundamental field of 259± 10 T in a direction close to c¹ axis.     

Magneto-optical measurement on the layer type magnet (CH2)2(ND3)2MnCl4

The linear birefringence (LB) of the antiferromagnet (CH₂)₂(ND₃)₂MnCl₄ has been measured as a function of temperature and in magnetic fields up to 100 kOe. The temperature dependence of the LB points to a pronounced two dimensional magnetic behaviour. No anomaly corresponding to the effect of three dimensional ordering could be detected at T_N. In theffield dependent measurements the spin flop at H_SF = 33.6 ± 1 kOe (T = 4K) could clearly be detected.     

Studies of thermal decomposition of (NH4)2Fe(SO4)2·6H2O

Thermal decomposition products of the Mohr salt (NH₄)₂Fe(SO₄)₂·6H₂O have been studied and identified using the Mössbauer effect, X-ray diffraction, infrared spectroscopy, and the gravimetric and thermal differential methods. It has been found that the Mohr salt heated for 96 hr. in air at 520K changes to a single substance identified as NH₄Fe(SO₄)₂ with a single Mössbauer line (width 0.30 mm/sec; isomeric shift 0.30 mm/sec). When the Mohr salt is heated for 1 hr. in air at 770 K it changes to Fe₂(SO₄)₃ with a single Mössbauer line (width 0.33 mm/sec; isomeric shift 0.31 mm/sec) strikingly similar to line of NH₄Fe(SO₄)₂.     

Proton conduction in (NH4)3 H(SO4)2 single crystals

D.C. electrical conductivity, DTA and coulometric studies on (NH₄)₃ H(SO₄)₂ single crystals are made. Conductivity is markedly anisotropic with maximum along c¹ direction. A sudden jump in the conductivity plot along c¹ direction at 413 K is supported by a large endothermic peak in DTA, confirming the presence of transition at this temperature. The values of activation energy calculated from conductivity measurements indicated that the charge carriers are protons. This was further confirmed by coulometric experiment where the gas evolved was hydrogen, as established by a gas chromatograph and the volume of H₂ released agreed with that expected from electrolysis. The mechanism of protonic conduction in this crystal is discussed.     

Electro- and magnetotransport in La0.67Ba0.33MnO3 nanosized films coherently grown on a vicinally polished (LaAlO3)0.29 + (SrAl0.5Ta0.5O3)0.71 substrate

The structure, orientation, and the response of electroresistance to magnetic field H and varying temperature T have been studied for 30-nm-thick La_0.67Ba_0.33MnO₃ (LBMO) films. The deviation of the [001] direction in manganite layers from the normal to the plane of the (LaAlO₃)_0.29 + (SrAl_0.5Ta_0.5O₃)_0.71 substrate strictly corresponds to the vicinal angle of the latter. The minimum yield determined from 227-keV proton scattering spectra is 0.025, signifying a high order of the cationic sublattice in the films. The biaxial compression of stable nuclei of the manganite phase affects their stoichiometry, thus contributing to the depletion of LBMO films in the alkaline-earth element. The maximum electroresistance values have been observed in the films grown at T _max ≈ 320 K, a temperature about 20 K lower than the Curie temperature of the corresponding bulk single crystals, and the maximum magnetoresistance (MR ≈ −0.42, μ₀ H = 2 T) occurs at T ≈ 300 K. At low temperatures (T < T _max/3) and μ₀ H < 0.45 T, the electroresistance response of LBMO films to a magnetic field materially depends on the anisotropic magnetoresistance and the intensity of hole scattering from domain walls; when μ₀ H > 0.5 T, the major current-carrier relaxation mechanism is the interaction with magnons.