K3C60取向相变的同步辐射光电子谱研究

在190K,220K和300K3个不同温度下测量了K₃C₆₀单晶薄膜沿[111]方向发射的同步辐射角分辨光电子谱.样品温度为190K时,能够观察到导带有规律的角散,并且带结构与已报道的温度为150K时的结果基本一样.而在220K附近,导带的许多子峰消失,色散不再存在.这两个温度的实验结果与K₃C₆₀在200K存在取向相变相符合,并且可在反铁磁Ising模型基础上得到理解.这种模型的定量分析结果还首次对K₃C₆₀在200K的相变机理作出了解释,即相变是由低温下的一维无序取向结构转变为200K以上的双取向结构畴与无序分子(约占40%)的混合.室温光电子谱与低温下的结果显著不同,对应于C₆₀分子取向在室温附近的动态无序.     

K3C60取向相变的同步辐射光电子谱研究

在190K,220K和300K3个不同温度下测量了K3C60单晶薄膜沿[111]方向发射的同步辐射角分辨光电子谱。样品温度为190K时,能够观察到导带有规律的色散,并且带结构与已报道的温度为150K时的结果基本一样。而在220K附近,导带的许多子峰消失,色散不再存在。这两个温度的实验结果与K3C60在200K存在取向相变相符合,并且可在反铁磁Ising模型基础上得到理解。这种模型的定量分析结果还首次对K3C60在200K的相变机理作出了解释,即相变是由低温下的一维无序取向结构转变为200K以上的双取向结构畴与无序分子（约占40%）的混合。室温光电子谱与低温下的结果显著不同,对应于C60分子取向在室温附近的动态无序。     

C60分子在有序-无序和玻璃态相变间的取向概率与弛豫行为

用极限动力学模型研究了Ｃ₆₀分子在有序-无序相变和玻璃态相变温度区间取向 角为98°和38°的取向概率与温度的关系.计算结果在玻璃态相变点附近的85K,90K和有序- 无序相变点的260K分别与实验值相吻合,取向概率对实验值更精确的拟合及其对温度的二阶 导数预言玻璃态相变点在84K.导出了弛豫规律,其结果表明：双能级的Ｃ₆₀分子从非平衡态到平衡态的弛豫行为与非指数因子β有关,其总的弛豫时间决定于其中一个较 短的弛豫时间,展宽指数形式保持不变.讨论了KWW方程的非 关键词： 60')" href="#">Ｃ₆₀ 取向概率 非平衡态弛豫     

K_3C_(60)在200K附近的取向相变机理

研究了K3C6 0 单晶薄膜在 2 0 0K附近的导带结构 .样品温度为 190K时 ,同步辐射角分辨光电子谱能够观察到[111]方向有规律的能带色散 .而在 2 2 0K附近色散不存在 .这一实验结果与K3C6 0 在 2 0 0K存在取向相变相符合 .用反铁磁Ising模型对实验结果进行了分析 .结果表明 ,K3C6 0 在 2 0 0K的相变是由低温下的一维无序取向结构转变为2 0 0K以上的双取向结构畴与无序分子 (约占 40 % )的混合     

K0.3MoO3和Tl0.3MoO3派尔斯相变临界行为的比热研究

采用连续绝热加热法测量了K_0.3MoO₃和Tl_0.3MoO₃在100—220K温度范围内的比热。发现K_0.3MoO₃和Tl_0.3MoO₃分别在177.5K和172.3K发生派尔斯相变。对派尔斯相变附近比热临界行为的研究表明,K_0.3MoO₃和Tl_0.3MoO₃的临界区域宽度分别为6K和8K,临界行为属于三维XY模型普适类。 关键词：     

Rb掺杂C60单晶的相衍变和电子态

在C₆₀单晶超高真空解理面上制备C₆₀的Rb填隙化合物薄膜.用同步辐射光电子能谱研究了相衍变过程.观察到对应于固溶相、Rb₁C₆₀和Rb₃C₆₀的电子态密度分布.当数纳米厚Rb₃C₆₀薄膜在C₆₀单晶（111）解理面形成后，室温条件下进一步沉积Rb至样品表面不产生fcc到bct或bcc结构相变.C_{60 关键词： 4}C₆₀和Rb₅C₆₀吸附相')" href="#">金属性Rb₄C₆₀和Rb₅C₆₀吸附相 60单晶')" href="#">C₆₀单晶 相衍变 同步辐射光电子能谱     

化合物HoMn6Sn6的磁晶各向异性及自旋重取向相变研究

采用交换相互作用的分子场理论模型对金属间化合物HoMn₆Sn₆的自旋重取向相变进行了研究. 从理论上计算了HoMn₆Sn₆的易磁化方向以及Ho和Mn离子磁矩与c轴夹角随温度的变化. 基于单离子模型计算了Ho离子的一阶和二阶磁晶各向异性常数K_1R和K_2R随温度的变化. 研究表明，为了很好描述该化合物的自旋重取向相变，必须考虑Ho离子的四阶晶场项及相应的二阶磁晶各向异性常数K_2R，K_2R与K_1R和Mn离子磁晶各向异性常数K_1t之间的相互竞争是导致HoMn₆Sn₆自旋重取向相变的重要因素. 关键词： 稀土-过渡族金属间化合物 自旋重取向 磁晶各向异性     

铁电磁体Pb(Fe1/2Nb1/2)O3相变特征

借助与示差扫描量热法、磁化率测量、电子自旋共振、铁电与介电性质测量及电子衍射系统地研究了Pb(Fe_1/2Nb_1/2)O₃(PFN)的电、磁性质和相变特征．结果表明发生在380K附近的顺电－铁电转变和发生在145K附近的顺磁 反铁磁转变分别为一级相变和二级相变或弱一级相变．在室温下,PFN的剩余极化与矫顽场分别为11.5μC/cm²和3.04kV/cm.介电测量表明PFN的顺电-铁电相变为弥散型相变．其弥散指数为1.62.电子衍射表明Fe³⁺与Nb⁵⁺离子在B位置上是无序分布的,正是这种与无序分布相关联的成分涨落导致铁电相变的弥散性. 关键词：     

K3Ba3C60在不同温度下的Raman光谱研究

研究了K₃Ba₃C₆₀在不同温度下的Raman光谱.发现Raman光谱随温度的变化发生有规律的变化.随着温度的降低,所有模的线宽和强度的变化情况与纯的C₆₀的情况明显不同.径向Ag(2)模的频率在20K到室温之间有一个反常大的向高频漂移(9cm^-1),这表明在C₆₀分子和掺杂离子之间存在着轨道杂化.另外Raman光谱中Ag(1)模两个分量的相对强度随着温度的降低发生有规律的变化. 关键词： 高频漂移 轨道杂化     

K2NiF4型Sr2CrO4的磁电性质研究

以SrO和CrO₂为原料, 在高温高压的条件下直接反应生成纯相的K₂NiF₄结构的Sr₂CrO₄多晶样品. 结构用粉末X射线衍射及GSAS精修表征. 磁化率测试显示样品存在一个弱的反铁磁相变, 奈尔温度为T_N=95 K. 在奈尔温度以上, 磁化率随温度的变化遵循居里-外斯定律. 对样品进行了电阻测试, 结果显示了样品的绝缘特性.     

Bi2Sr2CaCu2O8单晶中的反常尖锋效应

使用牛津震动样品磁强计(VSM)研究了Bi₂Sr₂CaCu₂O₈单晶的磁滞回线.在20到40K温度之间发现了反常的尖锋效应,随样品O含量的增加,发生尖锋效应的外场也相应提高.可以认为在尖峰效应处发生了由涡漩物质的有序固态到无序固态的相变,在有少量点缺陷存在的BSCCO单晶相图上,B_sp线终止于20K温度处,在20K以下温区没有发生准格子到涡漩玻璃的相变,涡漩固相始终以准格子形式存在;可以认为尖峰效 关键词： 2Sr₂CaCu₂O₈单晶')" href="#">Bi₂Sr₂CaCu₂O₈单晶 磁滞回线 尖锋效应 相变     

Theoretical and experimental study on the photoluminescence in BaTiO3 amorphous thin films prepared by the chemical route

A polymeric precursor method was used to synthesize BaTiO₃ amorphous thin film processed at low temperature. The luminescence spectra of BaTiO₃ amorphous thin films at room temperature revealed an intense single-emission band in the visible region. The visible emission band was found to be dependent of the thermal treatment history. Photoluminescence (PL) properties for different annealing temperatures were investigated. It was concluded that the intensity of PL is strongly dependent on both the heat treatment of the films and the presence of an inorganic disordered phase. Experimental optical absorption measurements showed the presence of a tail. These results are interpreted by the nature of these exponential optical edges and tails, associated with defects promoted by the disordered structure of the amorphous material. We discuss the nature of visible PL at room temperature in amorphous barium titanate in the light of the results of recent experimental and quantum mechanical theoretical studies. Our investigation of the electronic structure involved the use of first-principle molecular calculations to simulate the variation of the electronic structure in the barium titanate crystalline phase, which is known to have a direct band gap, and we also made an in-depth examination of amorphous barium titanate.     

哈斯勒合金Ni50Mn35In15的马氏体相变及其磁热效应

利用电弧炉熔炼了Ni₅₀Mn₃₅In₁₅多晶样品,根据磁性测量对其马氏体相变和磁热效应进行了系统研究.结果表明,随着温度的降低,样品在室温附近先后发生了二级磁相变与一级结构相变特征的马氏体相变,导致它的磁化强度产生突变. 同时通过低温下的磁滞回线的测量发现样品存在交换偏置行为,表明低温下马氏体相中铁磁和反铁磁共存. 此外,根据Maxwell方程,计算了样品在马氏体相变温度附近的磁熵变,当温度为309K,磁场改变5 T时,样品的磁熵变可达22.3J/kgK. 关键词： 哈斯勒合金 50Mn₃₅In₁₅')" href="#">Ni₅₀Mn₃₅In₁₅ 马氏体相变 磁热效应     

Phase transition and thermodynamic properties of TiO2 from first-principles calculations

The pressure induced phase transitions of TiO2 from anatase to columbite structure and from rutile to columbite structure and the temperature induced phase transition from anatase to rutile structure and from columbite to rutile structure are investigated by ab initio plane-wave pseudopotential density functional theory method(DFT),together with quasi-harmonic Debye model.It is found that the zero-temperature transition pressures from anatase to columbite and from rutile to columbite are 4.55 GPa and 19.92 GPa,respectively.The zero-pressure transition temperatures from anatase to rutile and from columbite to rutile are 950 K and 1500 K,respectively.Our results are consistent with the available experimental data and other theoretical results.Moreover,the dependence of the normalized primitive cell volume V/V0 on pressure and the dependences of thermal expansion coefficient α on temperature and pressure are also obtained successfully.     

Effect of sintering temperature and the particle size on the structural and magnetic properties of nanocrystalline Li0.5Fe2.5O4

Sintering temperature and particle size dependent structural and magnetic properties of lithium ferrite (Li_0.5Fe_2.5O₄) were synthesized and sintered at four different temperatures ranging from 875 to 1475 K in the step of 200 K. The sample sintered at 875 K was also treated for four different sintering times ranging from 4 to 16 h. Samples sintered at 1475 K have the cubic spinel structure with a small amount of α-Fe₂O₃ (hematite) and γ-Fe₂O₃ (maghemite). The samples sintered at≤1275 K do not show hematite and maghemite phases and the crystals form the single phase spinel structure with the cation ordering on octahedral sites. Particle size of lithium ferrite is in the range of 13-45 nm, and is depend on the sintering temperature and sintering time. The saturation magnetization increased from 45 to 76 emu/g and coercivity decreases from 151 to 139 Oe with an increase in particle size. Magnetization temperature curve recorded in ZFC and FC modes in an external magnetic field of 100 Oe. Typical blocking effects are observed below about 244 K. The dielectric constant increases with an increase in sintering temperature and particle size.     

Magnetocaloric effect in Gd6Co1.67Si3 compound with a second-order phase transition

The magnetic properties and the magnetic entropy change AS have been investigated for Gd6Co1.67Si3 compounds with a second-order phase transition. The saturation moment at 5 K and the Curie temperature TC are 38.1μB and 298 K, respectively. The AS originates from a reversible second-order magnetic transition around TC and its value reaches 5.2 J/kg.K for a magnetic field change from 0 to 5T. The refrigerant capacity （RC） of Gd6Co1.67Si3 are calculated by using the methods given in Refs.[12] and [21], respectively, for a field change of 0 5T and its values are 310 and 440 J/kg, which is larger than those of some magnetocaloric materials with a first-order phase transition.     

One-magnon light scattering and spin-reorientation transition in epitaxial BiFeO3 thin films

Raman scattering from one-magnon excitation has been observed for the first time in epitaxial BiFeO₃ thin films grown on (1 1 1) SrTiO₃ substrates. The intensities and the frequency of the magnon mode at 18.9 cm⁻¹ (M₁) showed a discrepancy at the characteristic temperatures of ∼140 and 200 K and the magnon mode at 27.9 cm⁻¹ (M₂) disappeared at ∼200 K suggesting spin-reorientation (SR) transition in the epitaxial BFO film. The dc susceptibility measurement showed a large discrepancy near these two temperatures evidently elucidating the spin-reorientation transition mechanism. The partial spectral weight of the magnon modes is believed to be transferred to the lowest phonon mode appearing at 72.8 cm⁻¹ and higher magnon mode M₂ disappearing near 200 K reveal magnon-phonon coupling near to SR transition.     

Abnormal positive thermal expansion in Mo substituted ZrW2O8

ZrW₂O₈ displays the unusual property of an isotropic bulk contraction in volume as a function of temperature. We report here on the positive thermal expansion (PTE) property caused by substituting Mo for W sites in ZrW₂O₈ at room temperature. The room temperature crystal structure of ZrW_2−xMo_xO₈ compounds, which were synthesized using a low temperature route, could be divided into ordered phase with α-ZrW₂O₈ structure (0≤x≤0.5) and disordered phase with β-ZrW₂O₈ (0.5<x≤1.5) and c-ZrMo₂O₈ structure (1.5<x≤2). ZrW_2−xMo_xO₈ adopting β-ZrW₂O₈ structure shows abnormal PTE property at room temperature due to the existence of water molecules, while ZrW_2−xMo_xO₈ adopting the other two structures (α-ZrW₂O₈ and c-ZrMo₂O₈) shows negative thermal expansion (NTE) property from room temperature until decomposition for α-ZrW₂O₈ structure or trigonal phase transition for c-ZrMo₂O₈ structure. The reason lies in the fact that the oxygen migration caused by the Mo substitution leads to the re-arrangement of W(Mo)O₄ tetrahedra lying along the 3-fold axis, only particular W/Mo ratio (0.5<x≤1.5) produces a special crystal structure, which allows the entrance of water molecules.     

Phase transition in Cu2+-doped RbH2 PO4 as observed by EPR

The electron paramagnetic resonance (EPR) spectra of Cu²⁺-doped RbH₂ PO₄ at elevated temperatures indicate a phase transition at 358 K. The EPR-silent state at this temperature is attributed to a so-called polymeric phase transition. After the transition when the temperature is lowered to 293 K, the EPR signal does not appear; therefore, the transition is irreversible. This result seems to be in agreement with the other observations. The EPR spectra for the sample indicate the presence of two sites for Cu²⁺, and the values of EPR parameters are in accord with the literature on Cu²⁺-doped single crystals. Any other phase transitions could not to be observed at low temperatures down to 113 K.