La2分子结构与基态分子势能函数

用相对论有效原子实势，在密度泛函理论(DFT)和组态相关理论(QCISD)水平上优化计算了La2分子的结构．根据原子分子反应静力学原理，导出La2分子可能的电子状态和离解极限，用DFT中的B3LYP方法计算了基态X1∑g^ 势能曲线，拟合得到Murrell-Sorbie解析势能函数，并首次计算得到基态X1∑g^ 的谐振频率、热力学性质、力学与光谱数据。     

二氧化钒薄膜的低温制备及其性能研究

针对VO₂薄膜在微测辐射热计上的应用，采用射频反应溅射法，在室温下制备氧化钒薄膜；研究了氧分压对薄膜沉积速率、电学性质及成分的影响.通过调节氧分压，先获得成分接近VO₂的非晶化薄膜，再在400℃空气中氧化退火，便可制得高电阻温度系数，低电阻率的VO₂薄膜，电阻温度系数约为-4%/℃，薄膜方块电阻为R_□为100—300kΩ；薄膜在室温下沉积，400℃下退火的制备方法与微机电加工(micro electromechanic 关键词： 二氧化钒 电阻温度系数 氧分压 射频反应溅射法     

镧系金属一氢化物有效芯势研究

采用Cundari和Stevens等推导的有效芯势对镧系金属一氢化物进行了理论计算，以探讨镧系金属元素与氢的相互作用。结果表明所有镧系金属一氢化物基态时理论上是稳定的，最稳定的是SmH,最不稳定的是DyH;键长计算结果显示，基态时镧系金属一招兵买马花物有独立王国 收缩现象发生；红外振动频率理论计算值与实验结果一致；成键轨道中，金属原子轨道的贡献主要是s轨道和d轨道：从CeH至ErH(GdH)例外）随着外层电子的增加s轨道成分逐渐增大d轨道成分逐渐减小；从TmH和LuH（包括GdH)，成键轨道中金属原子轨道的贡献主要是d轨道，约为90％；约大多数镧系金属一氧化物的成键轨道中金属原子轨道f成分小于1％。     

用不确定度评价测量结果中的有效自由度的作用

论述了有效自由度的计算方法及有效自由度量值在分析测量结果中的应用。     

纳米MOSFET迁移率解析模型

从玻尔兹曼方程出发，重新计算了纳米MOSFET沟道内的载流子所服从的分布函数，特别是考虑了纳米MOSFET横向电场和纵向电场之间的相互作用，并且以得到的非平衡状态下的分布函数为基础，考虑载流子寿命和速度的统计分布，给出了纳米MOSFET载流子迁移率的解析表达式.通过与数值模拟结果进行比较和分析，该迁移率解析模型形式简洁、物理概念清晰，且具有相当精度. 关键词： 玻尔兹曼方程 纳米MOSFET 迁移率 沟道有效电场     

Experimental observation of quantum corrections to electrical resistivity in nanocrystalline soft magnetic alloys

X-ray diffraction patterns of nanocrystalline Fe-Cu-Nb-Si-B (FINEMET) alloys reveal that bcc α-Fe/α-FeSi crystallites with the average grain size of 20(5) nm are dispersed in amorphous matrix. Enhanced electron—electron interaction (EEI) and quantum interference (QI) effects as well as electron-magnon (and/or electron-spin fluctuation) scattering turn out to be the main mechanisms that govern the temperature dependence of resistivity. Of all the inelastic scattering processes, inelastic electron-phonon scattering is the most effective mechanism to destroy phase coherence of electron wave functions. The diffusion constant, density of states at the Fermi level and the inelastic scattering time have been estimated, for the first time, for the alloys in question Article presented at the International Symposium on Advances in Superconductivity and Magnetism: Materials, Mechanisms and Devices, ASMM2D-2001, 25–28 September 2001, Mangalore, India.     

Resistivity－temperature characteristics of sol gel YBa2Cu3Oy samples synthesized in flowing oxygen atmosphere

The relationship of resistivity versus synthesizing temperature of sol gel YBa_2Cu_3O_y samples was studied when prepared under flowing oxygen conditions. A set of high-temperature ρ－T curves was obtained for the whole process. After the sample finished the test measuring, its resistivity was ρ_{300}=9.83×10^{-3 }Ω·cm at room temperature. The ρ－T curve also showed that the orthorhombic－tetragonal phase transformation of sol-gel YBa_2Cu_3O_y sample occurred at 581℃ for the sample in the rising temperature process, but at 613℃ in the cooling process, lower than that of the samples made by using the conventional powder metallurgy methods.     

Yb3+掺杂铝氟磷酸盐玻璃的光谱和激光性能

研究了Yb3 掺杂铝氟磷酸盐 (AFP)玻璃的吸收光谱、荧光光谱 ,测量了Yb3 离子的荧光有效线宽 (Δλeff>5 5nm)以及2 F5 2 能级的荧光寿命 (τmax=2ms)及随掺杂浓度的变化 .应用倒易法计算了Yb3 的发射截面 ,其发射截面可达 0 6 6 82 3pm2 ,且激光增益系数τfσemi达 1 2 89ms.pm2 .评估了Yb3 在AFP玻璃中的激光性能 ,发现其具有较理想的激发态最小粒子数 (0 15 )、饱和抽运强度 (8 3kW cm2 )和最小抽运强度 (1 2 4 5kW cm2 )值及良好的热稳定性 .研究结果表明掺Yb3 氟磷酸盐玻璃是实现高功率超短可调谐激光器的理想增益介质 .     

The Geometric Construction of WZW Effective Action in Noncommutative Manifold

By constructing close-one-cochain density Ω^12n in the gauge group space we get the Wess-Zumino-Witten (WZW) effective Lagrangian on high-dimensional noncommutative space.Especially consistent anomalies derived from this WZW effective action in noncommutative four-dimensional space coincide with those obtained by L.Bonora etc.(het-th/0002210).     

Shell model interaction between proton holes and between proton holes and neutron particles around 208Pb

An effective residual interaction between particles and holes for shell model calculations around ²⁰⁸Pb, derived from the interaction between free nucleons, is compared with the measured properties of proton-hole neutron states in ²⁰⁸Tl and the interaction between proton holes is adjusted to newly measured level energies in ²⁰⁶Hg. These interaction elements are particularly relevant for neutron-rich nuclei. The adjustment of two mixing elements reproduces the known γ-decay data in ²⁰⁸Tl. Received: 2 April 2002 / Accepted: 2 May 2002