激光能量对反钙钛矿GaCMn_3薄膜结构与物性的影响

本文采用脉冲激光沉积方法在LaAlO3(001)单晶衬底上制备了反钙钛矿GaCMn3薄膜,通过控制制备过程中脉冲激光的能量,研究了不同激光能量条件对GaCMn3薄膜结构与物理性能的影响.分别利用X射线衍射仪、原子力显微镜、超导量子干涉仪和物理性能测试系统,对所制备的薄膜的晶体结构、表面形貌和磁性、电输运性质进行了研究.结果表明,制备的样品均为具有多个晶面取向的反钙钛矿薄膜,且薄膜结构和物性明显随制备激光能量的变化而变化.当激光能量为450mJ时,制备的薄膜多晶面取向性最弱,结晶性和表面形貌最优良.实验所得的薄膜均表现出顺磁-铁磁-反铁磁相转变,然而转变过程比块材较平缓,同时薄膜的电阻率并未表现出块材中的突变特征,我们推测该现象很可能是由衬底的应力及衬底的晶格膨胀对薄膜反常晶格变化的抑制作用造成的.     

钙钛矿型Sr_（1－x）Bi_xFeO_（3－y）系列物的结构、电性及铁氧化态研究

在１１００℃制备了钙钛矿型非计量系列物Ｓｒ_（１－ｘ）Ｂｉ_ｘＦｅＯ_（３－ｙ），与文献相比，明显具有温度低、时间短、能耗少的特点。用化学分析方法测得其化学式及Ｆｅ离子的平均价态，用ＸＲＤ、交流阻抗、ＩＲ、Ｍｏｓｓｂａｕｅｒ谱等方法研究了其结构与性质，该类化合物具有Ｐｍ３ｍ对称性和半导体性质，铁离子会产生电荷歧化现象。     

层状结构钒磷酸盐（pipzH2）2[（VO）3（HPO4）2（PO4）2]·H2O的水热合成及热稳定性研究

水热合成了钒磷酸盐体系中少有的结构中具有多面体共棱连接的层状孔道结构化合物（pipzH2）2[（VO）3（HPO4）2（PO4）2]·H20的纯相。用ICP、单晶XRD、TG-DTA、粉晶XRD和SEM对产物进行了表征。结果表明，化合物在空气中开始失重的温度为274℃，随着温度的升高，化合物中有机分子分解，同时伴随着重结晶过程，但晶体的外观形貌保持不变直至有机部分分解殆尽。相变过程分析和与模板相同的（pipzH2）0.5[（VO）（PO4）]的热稳定性对比研究表明，有机模板的稳定性及分解过程不但影响化合物的热稳定性和热变化过程，还影响原晶体微形貌的保持；无机骨架结合的牢固程度在很大程度上影响化合物的热稳定性。     

类钙钛矿化合物Ca(Mn2 Cu1)Mn4 O12的磁性与磁电阻效应

利用固相反应法制备了名义成分为Ca(Mn2 Cu1 )Mn4 O1 2 的类钙钛矿锰氧化物 .x射线衍射表明 ,为了获得较为致密的样品和减小杂相含量 ,可以采用高温烧结再在 10 73K长时间空气中退火的制备方法 .样品在低温下同时存在铁磁相和反铁磁相 ,由于反铁磁相的存在导致样品在 4 5K时的磁化强度显著降低 ,并在 8T的高磁场下仍未达到饱和 .样品呈半导体导电性质 ,在 85K和 6T磁场下磁电阻比的最大值可达 - 4 6 % .     

Molecular dynamics of MgSiO3 perovskite melting

The melting curve of MgSiO分子动力学 MgSiO3钙钛矿 熔化温度 高压melting temperature, molecular dynamics, high pressureProject supported by the National Natural Science Foundation of China (Grant Nos 10274055 and 10376021),the Natural Science Foundation of Gansu Province, China (Grant No 3ZS051-A25-027) and the Scientific Research Foundation of Education Bureau of Gansu Province, China (Grant No 0410-01).2005-01-125/8/2005 12:00:00 AMThe melting curve of MgSiO3 perovskite is simulated using molecular dynamics simulations method at high pressure. It is shown that the simulated equation of state of MgSiO3 perovskite is very successful in reproducing accurately the experimental data. The pressure dependence of the simulated melting temperature of MgSiO3 perovskite reproduces the stability of the orthorhombic perovskite phase up to high pressure of 130GPa at ambient temperature, consistent with the theoretical data of the other calculations. It is shown that its transformation to the cubic phase and melting at high pressure and high temperature are in agreement with recent experiments.     

Surface rumpling of cubic CaTiO3 from density functional theory

In this paper, the structure of cubic CaTiO3 （001） surfaces with CaO and TiO2 terminations has been studied from density functional calculations. It has been found that the Ca atom has the largest relaxation for both kinds of terminations, and the rumpling of the CaO-terminated surface is much larger than that of TiO2-terminated surface. Also we have found that the metal atom relaxes much more prominently than the O atom does in each layer. The CaO-terminated surface is slightly more energetically favourahle than the TiO2-terminated surface from the analysis of the calculated surface energy.     

Origin of the Downturn in Inverse Susceptibility Observed above the Curie Temperature in Perovskite Manganites

The measurement of low-field susceptibility X as a function of temperature T for La2/3Ca1/3MnO3 shows a significant downturn in 1/X(T) above the Curie temperature Tc, a behaviour generally observed in perovskite manganites. Such a downturn is argued to be due to the segregation of ferromagnetic clusters with larger spins in the paramagnetic matrix. Based on this consideration, a phenomenological expression for X(T) is proposed,in which the total susceptibility is assumed to be a sum of two susceptibilities arising from magnetic entities in the PM background and the FM clusters with T-dependent effective spins, respectively. The result is in good agreement with the experimental data obtained in La2/3Ca1/3MnO3.     

CO在钙钛矿型氧化物SmMeO3上吸附的红外光谱研究

对于CO在钙钛矿氧化物上的吸附,Tascon等人做了大量的工作.他们认为CO是吸附在表面O~(2-)上,O_2吸附在金属位上,且他们提出了氧化反应的可能机理为吸附态的CO与吸附态的氧生成CO_3为速度控制步骤,他们还认为该步骤是以生成稳定的双齿碳酸盐再变成单齿碳酸盐而进行的.即