四角晶相HfO2(001)表面原子和电子结构研究

采用基于第一性原理的密度泛函理论研究了四角晶相二氧化铪(t-HfO₂)体相及 其(001)表面的原子几何与电子结构.理论计算结果表明，t-HfO₂(001)表面不会 产生重构现象.与体相电子结构相比, t-HfO₂(001)表面态密度明显高于体相态 密度.其次，表面原子的态密度更靠近费米能级(E_F)，价带往低能量处移动，并 有表面态产生.计算结果表明了t-HfO₂表面禁带宽度明显低于体相的禁带宽度. t-HfO₂(001)的表面态产生以及表面禁带宽度减小是由于Hf原子与O原子的配位 数减少，表面原子周围的环境发生变化而引起的. 关键词： 密度泛函理论 2(001)')" href="#">t-HfO₂(001) 表面电子结构     

Ni(111)表面一氧化碳和氢共吸附的密度泛函理论研究

本文用密度泛函理论(DFT)的总能计算研究了一氧化碳和氢原子在Ni(111)表面上p(2×2)共吸附系统的原子结构和电子态，结果表明CO和H原子分别被吸附于两个对角p(1×1)元胞的hcp和fcc位置.以氢分子和CO分子作为能量参考点，总吸附能为2.81 eV，相应的共吸附表面功函数φ为6.28 eV.计算得到的C—O，C—Ni和H—Ni的键长分别是1.19?, 1.96?和 1.71?，并且CO分子以C原子处于hcp的谷位与金属衬底原子结合.衬底Ni(111)的最外两层的晶面间距在吸附后的相对变化分别是 关键词： Fisher-Tropsch反应 催化作用 Ni(111) p(2×2)/(CO+H) 共吸附     

High index of refraction via quantum interference in a three-level system of Er^3＋-doped yttrium aluminium garnet crystal

A simple three-level system is proposed to produce high index of refraction with zero absorption in an Er^3＋-doped yttrium aluminium garnet （YAG） crystal, which is achieved for a probe field between the excited state 4I13/2 and ground state 4I15/2 by adjusting a strong coherent driving field between the upper excited state 4I11/2 and 4I15/2. It is found that the changes of the frequency of the coherent driving field and the concentration of Er^3＋ ions in the YAG crystal can maximize the index of refraction accompanied by vanishing absorption. This result could be useful for the dispersion compensation in fibre communication, laser particle acceleration, high precision magnetometry and so on.     

油水两液相一维非等温渗流的传递分析

在求解油水两液相非等温渗流的温度场、压力场基础上,以驱动功、驱动功率、驱动阻力、驱动速率为特征参数,对该过程进行(火用)传递分析。数值模拟的结果表明:含水通过降低油的相对渗透率、从而增大驱动阻力、减小驱动功率, 最终导致原油产量降低。     

一类非线性Schr(o)dinger方程的守恒差分法与Fourier谱方法

考察了一类带导数项的非线性Schrodinger方程的周期边值问题，提出了一种守恒的差分格式，在空间方向上采用Fourier谱方法，证明了格式的稳定性和收敛性．数值试验得到了与理论分析一致的结果．     

FORMATION OF SINGULARITIES FOR A KIND OF QUASILINEAR NON－STRICTLY HYPERBOLIC SYSTEM

The author gets a blow-up result of C1 solution to the Cauchy problem for a first order quasilinear non-strictly hyperbolic system in one space dimension.     

Banach空间二阶非线性微分方程的弱Carathéodory解

本文定义了二阶微分方程的弱 Carathéodory解 ,在不涉及紧型条件的情形下 ,直接用迭代法证明了 Banach空间二阶非线性常微分方程两点边值问题存在唯一解 ,并给出逼近解迭代序列的误差估计 ,对周期边值问题得到类似的结果     

稀掺杂GaNxAs1－x(x≤0.03)薄膜的调制光谱研究

利用室温下压电调制反射光(PzR)谱技术系统测量了N掺杂浓度为0.0%—3%的分子束外延生长GaN_xAs_1-x薄膜，并对图谱中所观察的光学跃迁进行了指认.在GaN_0.005As_0.995和GaN_0.01As_0.99薄膜的PzR谱中观察到此前只在椭圆偏振谱中才看到的N掺杂相关能态E₁+Δ₁+Δ_N.当N掺杂浓度达到 关键词： 压电调制反射光谱(PzR) xAs_1-x薄膜')" href="#">GaN_xAs_1-x薄膜 分子束外延(MBE)     

The Quantum Coherence Effects in Degenerate Two-level Atomic System

The quantum coherence effects of the transition Fe = 2←→Fg = 3 depending on the polarization of the coupling and probe beam are observed in a Cs vapor cell. The splitting of electromagnetically induced transparency （EIT） window is observed when the degeneracy of two-level system is broken using a magnetic field. It is also shown that the splitted transparency points of two of three windows are shifted with the intensity of magnetic field （ i. e. Zeeman splitting in the upper and lower levels ） increasing. On the contrary, when we fix the intensity of magnetic field, and increase the Rabi frequency of the coupling beam, the splitted transparency peaks become wider. A qualitative agreement between experiment and theory is found.