Surface atomic imaging of La2CuO4 and superconducting Tl2Ba2Ca2Cu3O10

Surface structures of the high T_c oxide superconductors Tl₂Ba₂Ca₂Cu₃O₁₀ and La₂CuO₄ have been studied by high resolution electron microscopy. In addition to the single atomic layer of La on the (113) surface observed previously, several atomic layers of the C-form of La₂O₃ were found to coat the (001) surfaces of La₂CuO₄. Surface reconstruction with the incorporation of excess Ba on the (110) surface of Tl₂Ba₂Ca₂Cu₃O₁₀ has been observed together with a stepped (11l) surface produced by a combination of the (110) and (001) planes. The (001) surface of Tl₂Ba₂Ca₂Cu₃O₁₀ was also found to terminate with a Ba-O layer. Possible mechanisms for the formation of these surface structures are discussed.     

Size dependence of a magnetopolaron in cylindrical quantum wires at arbitrary magnetic fields

With the use of variational method to solve the effective mass equation, we have studied the cyclotron resonance of a magnetopolaron in cylindrical quantum wires at arbitrary magnetic fields. The interaction of the electron with surface-optical (SO) phonons is used. Having calculated the ground state energy and the excited state energy of the magnetopolaron, we obtain the hybrid frequency of the magnetopolaron in quantum wires.     

Solitary excitations in antiferromagnet CsFeBr3

With employing the Dyson-Maleev transformation and the coherent-state ansatz, two partial different motion equations are obtained from Hamiltonian of antiferromagnet CsFeBr₃. By using the method of multiple scales and the long-wavelength approximation, these equations are changed into a nonlinear Schrödinger equation. By applying inverse-scattering transformation, solution of the equation is obtained, solitary excitations in antiferromagnet CsFeBr₃ are also investigated.     

毛细管区带电泳分析阿片受体和抗独特型抗羟甲芬太尼抗体

应用毛细管区带电泳（ＣＺＥ）分析测定阿片受体、抗独特型抗羟甲芬太尼抗体等生物大分子样品。熔融石英毛细管柱为６０ｃｍ×１００μｍｉ．ｄ．（从进样到检测器长度为５０ｃｍ）,以硼砂－氢氧化钾为缓冲液。结果表明缓冲液的ｐＨ影响ＣＺＥ对阿片受体的分析,当ｐＨ为９．０时分析效果最理想,重现性良好,测得的两个主峰与同批样品进行ＳＤＳ－ＰＡＧＥ分析得到的两个条带相符。用ＣＺＥ分析抗独特型抗羟甲芬太尼抗体（ＩｇＧ）,表明用ＰｒＯｔｅｉｎＡ－Ｓｅｐｈａｒｏｓｅ亲和色谱分离得到部分纯化的ＩｇＧ,迁移时间不同于对照豚鼠的ＩｇＧ。     

关于以最佳逼近代教多项式逼近可微类函数的一个注记

以W~rC_[-1,1]表示在[-1,1]上具有r阶连续导函数的函数全体,P_n(f,x)为f(x)∈W~rC_[-1,1]的n次最佳逼近代数多项式.有理由问:对P_n(f,x)是否有对应于TnMaE不等式的点态不等式成立?本文从事这方面的讨论,给出否定的回答。     

戊酰异羟肟酸、庚酰异羟肟酸与Cu(Ⅱ)、Ni(Ⅱ)、Mn(Ⅱ)、Zn(Ⅱ)络合稳定常数的测定

本文报导了戊酰异羟肟酸和庚酰异羟肟酸与Cu(Ⅱ)、Ni(Ⅱ)、Mn(Ⅱ)、Zn(Ⅱ)络合的稳定常数,结果表明,金属离子形成络合物的强弱次序为Cu>Ni>Zn>Mn这一结果与梅勒(Mellor)等所得的顺序相符几。对同一种金属离子的络合能力则是戍酰异羟肟酸大于庚酰异羟肟酸。     

Excitation of defect modes from the extended photonicband-gap structures of 1D photonic lattices

This paper stuides numerically the model equation in a one dimensional defective photonic lattice by modifying the potential function to a periodic function. It is found that defect modes (DMs) can be regarded as Bloch modes which are excited from the extended photonic band-gap structure at Bloch wave-numbers with k x = 0. The DMs for both positive and negative defects are considered in this method.     

S空位调节扶手型二硫化钼纳米带的电子性质

二硫化钼纳米带按边界结构特征可分为锯齿型和扶手型,在制备过程中,不可避免地会存在一定的缺陷,其中硫空位(VS)最为常见,它将改变纳米结构,进而影响其电子性质。本文采用密度泛函理论来研究S空位对扶手型二硫化钼纳米带性质的影响。计算结果表明：纯扶手型二硫化钼纳米带（AMoS2NRs）为非磁性半导体,但其物性受S空位的位置及浓度所调制。当S空位出现在纳米带内部时,其性质不变。但当S空位在纳米带边缘时,AMoS2NRs被调节成半金属;并随着S空位的浓度的增加,其物性从半金属转变为稀磁半导体。这一有趣的发现将使得低维MoS2纳米材料在自旋电子学上有更宽广的应用。     

5,15-二（二茂铁基）-卟啉酞菁钇的结构和振动光谱的密度泛函理论研究

本文选用混杂的B3LYP密度泛函理论方法,在Lanl2dz水平上,对5,15-二（二茂铁基）-卟啉酞菁钇[Por(Fc)2]Y(Pc)的结构进行了优化,结果表明,5,15-二（二茂铁基）-卟啉酞菁钇呈现出三明治型构型,卟啉环与酞菁环呈穹型围绕在金属钇原子周围。对分子内主要的键长与键角进行了理论计算,通过频率计算,得到了5,15-二（二茂铁基）-卟啉酞菁钇[Por(Fc)2]Y(Pc)的红外光谱图,与实验所得的红外光谱图进行比对,将理论计算和实验所得的光谱主要振动峰进行了线性回归拟合,相关系数为0.992,标准偏差为16.96。理论计算与实验所获得的红外光谱图基本一致,说明本文所选用的DFT理论计算方法是可行的。通过GaussView软件对5,15-二（二茂铁基）-卟啉酞菁钇的红外谱带简正振动模式进行了指认。此外,分析讨论了5,15-二（二茂铁基）-卟啉酞菁钇[Por(Fc)2]Y(Pc)的分子静电势,确定了极大值与极小值的位置。对于研究5,15-二（二茂铁基）-卟啉酞菁钇分子的性质,提供了相应的理论基础。     

锯齿型与扶手椅型碳化硅纳米管光电性质第一性原理研究

本文基于密度泛函理论计算分析了手性参数为(17,0)、(20,0)、(26,0) (10,10)、(12,12)、(15,15)的碳化硅纳米管的能带图,态密度及主要光学性质。结果表明：锯齿型与扶手椅型碳化硅纳米管均具有明显的半导体性质;在相近直径下,扶手椅型碳化硅纳米管带隙宽度要大于锯齿型碳化硅纳米管的带隙宽度;碳化硅纳米管的光吸收峰在100nm~200nm之间,可用于制作紫外线探测器件。