非化学配比锰基钙钛矿输运特性研究

本文报道了用溶胶凝胶法并经过低温(900℃)后处理制备的具有非化学配比的La2/3Ca1/3Mn1-xO3(x=0～0.10)多晶样品的电输运和磁性质的实验研究.结果表明,随x的增加,样品呈现出明显增强的非本征磁电阻效应,同时其本征磁电阻效应减弱.实验还观察到样品的颗粒尺寸随x的增加而减小的现象.基于样品的结构特征,本文讨论了其独特输运性能的形成原因.     

铜含量对La2/3Sr1/3MnO3的电输运及磁电阻的影响

先用溶胶-凝胶法制备出La2/3Sr1/3MnO3的颗粒系统, 然后用化学的方法将Cu材料引入到La2/3Sr1/3MnO3的颗粒表面, 形成(1-x)La2/3Sr1/3MnO3/xCu (x≤0.05)的复合样品. 实验表明 Cu含量较低(x＜0.02)时, 复合样品电阻率较大, 仅在低温区表现出大的磁电阻效应, Cu含量较高(x＞0.025)时, 复合样品的电阻率较小(～10-2 Ω·cm), 在室温附近(270～300 K)、 3 T的磁场下, 表现出较大的不随温度变化的磁电阻效应～10%.     

Quantum chemical calculations of bond dissociation energies for COOH scission and electronic structure in some acids

Quantum chemical calculations are performed to investigate the equilibrium C-COOH bond distances and the bond dissociation energies(BDEs) for 15 acids.These compounds are studied by utilizing the hybrid density functional theory(DFT)(B3LYP,B3PW91,B3P86,PBE1PBE) and the complete basis set(CBS-Q) method in conjunction with the 6311G** basis as DFT methods have been found to have low basis sets sensitivity for small and medium molecules in our previous work.Comparisons between the computational results and the experimental values reveal that CBS-Q method,which can produce reasonable BDEs for some systems in our previous work,seems unable to predict accurate BDEs here.However,the B3P86 calculated results accord very well with the experimental values,within an average absolute error of 2.3 kcal/mol.Thus,B3P86 method is suitable for computing the reliable BDEs of C-COOH bond for carboxylic acid compounds.In addition,the energy gaps between the highest occupied molecular orbital(HOMO) and the lowest unoccupied molecular orbital(LUMO) of studied compounds are estimated,based on which the relative thermal stabilities of the studied acids are also discussed.     

稀磁半导体Zn0.7Mn0.15Co0.15O 中的铁磁行为

用固相反应法在不同温度下制备了名义组分为Zn0.7Mn0.15Co0.15O的Mn、Co共掺杂ZnO块状样品,并研究了烧结温度(Ts)对其结构和磁性质的影响。结构研究表明:掺杂样品除ZnO纤锌矿结构外还存在第二相,且第二相与Ts有关。磁测量表明,所有样品低温(约低于50K)下呈现铁磁行为,但其行为在Ts≤700℃和Ts>700℃时表现出明显的不同。对低温烧结的样品,磁有序程度随Ts增加而增强,而对较高温度烧结的样品,磁有序程度随Ts增加而减弱。结合结构分析,文中就这些观察的可能起因进行了讨论。     

La2/3Ca1/3MnO3/TE(TE=Cu、Fe、Zn)复合颗粒系统的磁输运行为比较性研究

用化学方法制备出La2/3Ca1/3MnO3/TE(TE=Cu、Fe和Zn)复合颗粒系统,并通过零场和外加低磁场(0.3 T)下电阻率(ρ)随温度(T)变化关系测量对这些复合系统的输运和低场磁电阻行为进行了比较性研究.相对于纯La2/3Ca1/3MnO3颗粒系统,Cu引入后,绝缘体-金属转变温度(TIM)降低,ρ减小,ρ(T)曲线表现出明显的热滞豫现象,磁电阻(MR)在转变温度附近表现出峰行为且峰值处的MR值高达～35%.引入Fe后,TIM升高,电阻率减小,但MR随T降低而单调增加.引入Zn后,TIM降低,ρ增加,在TIM附近也出现MR峰但峰值较小.同时,也注意到,在含Fe和Zn的系统中都没有观察到明显的热滞豫现象.