纤锌矿结构ZnO中定位Ga-N共掺杂对p型掺杂效率的影响

采用第一性原理和密度泛函理论的方法,计算未掺杂、N单掺杂和Ga-N共掺杂纤锌矿结构ZnO的总能、电荷密度和能带结构.总能计算表明,Ga原子的共掺杂使总能极大地降低,从而显著提高杂质N原子在ZnO中的稳定性.电荷密度分布显示,总能的降低主要是Ga-N共掺杂后Ga原子的3d态和N原子的2p态电子之间的强杂化相互作用所致.特别是在Ga原子的负电荷和N原子的正电荷沿c轴排成一线的共掺杂构型中,较大的局域极化场的变化引起价带顶向禁带中的大分裂,降低了N受主的激活能,将空穴的浓度提高了三个量级,有效地提高p型掺杂效率.     

Polyimide-polysiloxane-segmented copolymers as high-temperature polymer electrolytes

Based on the fact that the flexibility of the polymer backbone will affect the ion transport and sometimes enhance the ionic conductivity, copolymer electrolytes of 1,2,4,5-benzene-tetracarboxylic dianhydride (PMDA), 4-aminophenyl ether (ODA), and aminopropyldimethyl-terminated polydimethylsiloxane (PSX), with or without doping of lithium triflate, have been prepared and investigated by infrared spectroscopy and electrical conductivity measurements. The PSX was found to be incorporated into PMDA-ODA polyimide to form block copolymers, and the best conductivity (10^-7 s/cm at 300°C) is observed in the lithium triflate-doped PMDA-ODA-PSX copolymer with a composition of 4PMDA: 3DA: 0.6PSX: 2LiCF₃SO₃. This conductivity is about 100 times better than the result of the lithium-doped PMDA, ODA, and 2,5-diaminobenzene sulfonic acid (DABSA) copolymer (4PMDA: 3DA:1DABSA:1LiCF₃SO₃) recently reported by this group. © 1994 John Wiley & Sons, Inc.     

F掺杂的BN纳米管及电导特性

利用一种新颖的催化生长方法,在生长BN纳米管的过程中直接引入F原子,获得了均匀F掺杂的BN纳米管.高分辨透射电子显微镜研究表明,构成BN纳米管的六元环由于F掺杂而被严重扭曲,纳米管壁由一些高度卷曲的连续片层构成.电学性质测量表明,相对于无掺杂的BN纳米管而言,F掺杂BN纳米管的电导显著增加.     

镧系超导体1／8反常现象的研究

我们测量了La2-xMxCuO4（LMCO，M=Sr，Ba，x=0．05，0．10，0．125，0．15，0．2）体系的室温正电子寿命谱，研究了正电子湮没机制与超导电性之间的关系．实验结果表明在x=1／8附近电子密度（ne）出现峰值响应，说明在掺杂浓度不断增加的过程中，当x〈1／8时，正电子-空穴反关联起决定性的作用．而在x〉1／8时，化学掺杂引起的电子损失是决定电子密度的最重要的原因．     

Investigation of electronic structure of Nd-doped TiO2 nanoparticles using synchrotron radiation photoelectron spectroscopy

Doping with transition metal ions in TiO₂ has been found effective to modify the electronic structure of TiO₂ nanoparticles. Application of synchrotron radiation photoelectron spectroscopy (SRPES) to Nd-doped TiO₂ nanoparticles revealed that there existed different peak positions and structure with different doping concentration in the valence band spectra. From the onset of valence band spectrum, it was observed that doping Nd ions alters the electronic structure and makes the band gap of TiO₂ narrow.     

Influence of B2O3 to the inhomogeneous broadening and spectroscopic properties of Er/Yb codoped fluorophosphate glasses

In a three-components fluorophosphate glass system, the introduction of H₃BO₃ brings some valuable influence to the spectroscopic and thermal properties of the glasses. With H₃BO₃ increases from 2 to 20 mol%, Ω₆, S_ed4I13/2, FWHM, T_g and fluorescence lifetime change from 3.21×10⁻²⁰ cm², 1.77×10⁻²⁰ cm², 45 nm, 480 °C and 8.8 ms to 4.66×10⁻²⁰ cm², 2.11×10⁻²⁰ cm², 50 nm, 541 °C and 7.4 ms, respectively. σ_abs, σ_emi, FWHM×τ_f×σ_emi has a maximum when H₃BO₃ is 11 mol%. T_g and T_x−T_g increases with H₃BO₃ introduction. Results showed that in fluorophosphate glasses, proper amount of B₂O₃ can be used as a modifier to suppress upconversion and improve spectroscopic properties, broadband property and crystallization stability of the glasses while keeps the fluorescence lifetime relatively high.     

TM掺杂的Ⅲ-Ⅴ族稀磁半导体电磁性质的第一原理计算

使用基于自旋局域密度泛函理论的第一性原理方法对3d过渡金属(TM=V，Cr，Mn，Fe，Co和Ni)掺杂的Ⅲ-Ⅴ族半导体(GaAs和GaP)的电磁性质进行了计算.结果发现：用V，Cr和Mn掺杂时体系将出现铁磁状态，而Fe掺杂时将出现反铁磁状态，Co和Ni掺杂时，其磁性则不稳定.其中，Cr掺杂的GaAs和GaP将可能是具有较高居里温度的稀磁半导体(DMS).在这些DMS系统中，V离子的磁矩大于理论期待值，Fe，Co和Ni离子的磁矩小于理论期待值，Cr和Mn离子的磁矩与期待值的差距取决于晶体的对称性以及磁性离子的能带分布.此外，使用Si和Mn共同对Ⅲ-Ⅴ族半导体进行掺杂，将有利于DMS表现为铁磁状态，并可以使体系的T_C进一步提高. 关键词： 稀磁半导体 过渡金属 掺杂 共掺杂     

LiMAlF6(M=Ca,Sr)基质中Ce3+、Eu3+、Tb3+的光谱研究

合成了Ce³⁺、Eu³⁺、Tb³⁺激活的LiMAlF₆(M=Ca,Sr)磷光体,研究了它们的光谱特性.观察到稀土离子在LiCaAlF₆和LiSrAlF₆中的光谱十分相似.这与它们所处的晶场环境相同有关.发现Ce³⁺在此基质中有较弱的330nm发射,这一Ce³⁺的发光中心可用于作为材料质量的评价.     

Formation of Mn-doped iron silicides by ball milling

Using X-ray diffraction (XRD) and Mössbauer spectroscopy, we have studied the sequence of phase formations in the solid Mn-doped iron silicide series Fe_1?x Mn _x Si₂, with 0.00? ≤ ?x? ≤? 0.12, in samples prepared by mechanical alloying from the pure elements. The milling was carried out at room temperature in Ar atmosphere in a horizontal mill for 15 h. The XRD patterns display broad lines, which can be ascribed to stable and metastable iron silicides like β-FeSi₂, ?-FeSi, α-FeSi₂, MnSi, and Si. The set of hyperfine parameters obtained support the coexistence of β-FeSi₂, α-FeSi₂ and ?-FeSi, in agreement with the XRD results. No replacement of Fe by Mn atoms in the regular sites of β-FeSi₂ has been observed.