First-principles study of structural and opto-electronic characteristics of ultra-thin amorphous carbon films

Most amorphous carbon(a-C)applications require films with ultra-thin thicknesses;however,the electronic structure and opto-electronic characteristics of such films remain unclear so far.To address this issue,we developed a theoretical model based on the density functional theory and molecular dynamic simulations,in order to calculate the electronic structure and opto-electronic characteristics of the ultra-thin a-C films at different densities and temperatures.Temperature was found to have a weak influence over the resulting electronic structure and opto-electronic characteristics,whereas density had a significant influence on these aspects.The volume fraction of sp3 bonding increased with density,whereas that of sp2 bonding initially increased,reached a peak value of 2.52 g/cm³,and then decreased rapidly.Moreover,the extinction coefficients of the ultra-thin a-C films were found to be density-sensitive in the long-wavelength regime.This implies that switching the volume ratio of sp2 to sp3 bonding can effectively alter the transmittances of ultra-thin a-C films,and this can serve as a novel approach toward photonic memory applications.Nevertheless,the electrical resistivity of the ultra-thin a-C films appeared independent of temperature.This implicitly indicates that the electrical switching behavior of a-C films previously utilized for non-volatile storage applications is likely due to an electrically induced effect and not a purely thermal consequence.     

Mo-X(B, C, N, O, F)共掺杂TiO2体系的光催化协同效应研究

采用密度泛函理论平面波超软赝势方法, 计算并分析了Mo/X(B, C, N, O, F)共掺杂TiO₂体系的形成能、电子结构和光学性质, 研究了共掺杂协同效应对于计算体系光催化性能的影响机制. 首先计算出不同掺杂体系的态密度及能带结构, 利用能带理论分析了共掺杂效应对于禁带宽度的调控作用, 进而分析了共掺杂对TiO₂光催化能力和稳定性的协同作用. 结合电荷密度图, 分析原子间的电荷转移情况, 得到计算体系中各原子成键状态. 最后, 结合光吸收谱线分析得出Mo/C共掺杂类型在调制TiO₂体系中可见光波段的光催化性能上优势明显, 在催化作用上表现出协同效应. 本文的理论研究对共掺杂方法在TiO₂光催化领域有着一定的指导意义.     

Phase Transition Behavior of LiCr 0.35 Mn0.65O2 under High Pressure by Electrical Conductivity Measurement

The electrical conductivity of powdered LiCr 0.35 Mn0.65O2 is measured under high pressure up to 26.22 GPa in the temperature range 300-413 K by using a diamond anvil cell. It is found that both conductivity and activation enthalpy change discontinuously at 5.36 GPa and 21.66 GPa. In the pressure range 1.10-5.36 GPa, pressure increases the activation enthalpy and reduces the carrier scattering, which finally leads to the conductivity increase. In the pressure ranges 6.32-21.66 GPa and 22.60-26.22 GPa, the activation enthalpy decreases with pressure increasing, which has a positive contribution to electrical conductivity increase. Two pressure-induced structural phase transitions are found by in-situ x-ray diffraction under high pressure, which results in the discontinuous changes of conductivity and activation enthalpy.     

织构C60薄膜的生长与光致发光特性

用Hot Wal方法，在氟金云母单晶上生长出了（111）织构的C₆₀薄膜．用X射线衍射、Raman散射、扫描电子显微镜和原子力显微镜研究了织构C₆₀薄膜的结晶质量和结构特性．测量了织构C₆₀薄膜在室温300K和低温77K的光致发光光谱．对所得结果进行了分析与讨论 关键词：     

Effect of Carbonized Conditions on Residual Strain and Crystallinity Quality of Heteroepitaxial Growth 3C-SiC Films

Heteroepitaxial growth of SiC on n-Si（111） substrates is performed by a low pressure chemicaJ vapor deposition process. The effects of different carbonized temperature and carbonized time on the crystalline quality and the residual strain of 3C-SiC films are discussed. The results show that the residual strain is obviously reduced and the crystalline quality is greatly improved at the best carbonized temperature of 1000℃ and the carbonized time of 5 min. Under these optimized carbonization conditions, thick epitaxial films of about 15 μm with good crystalline quality and low residual strain can be obtained.     

微波消解技术在金属分析中的应用

简要介绍了微波消解技术的基本原理和特点,提出了消解所用酸的种类和用量,指出了微波消解的一些注意事项,并对近年来微波消解技术在金属方面的应用做了综述。     

Modified Josephson Equation for Mesoscopic Parallel LC Circuit Including a Josephson Junction

By introducing the entangled state representation, parallel LC circuit including a 3osephson junction equation associated with the modification of the motion equation. the Cooper-pair number-phase quantization of the mesoscopic is realized. In the Heisenberg picture, the modified Josephson Faraday equation about the inductance is deduced from the     

冲击压缩下甲烷-空气混合气体状态参数实验研究

 为研究强冲击状态下混入少量空气的甲烷气体的冲击状态参数,利用二级轻气炮加载技术,使加速到5 km/s的钨合金飞片撞击封装有常态下空气混入量依次为零（纯甲烷气体）、1%、5%、10%的甲烷-空气混合气体铝靶。采用六通道瞬态光学高温计记录冲击压缩气体的光辐射历程曲线,得到了相同初始条件下4种不同比例混合气体的冲击状态参数。结果表明,在强冲击压缩下,混合气体的冲击温度随着空气混入比例的增大而增高,冲击波后混合气体存在非平衡辐射过程。采用Saha电离平衡方程,对空气混入量为10%的混合气体的电离度进行了估算。结果表明,常态下空气含量C_air≤10%的甲烷 空气混合气体具有电探针保护能力。     

All-Solid-State Nd:YAG Laser Operating at 1064nm and 1319nm under 885nm Thermally Boosted Pumping

We report a high-effciency Nd：YAG laser operating at 1064 nm and 1319nm, respectively, thermally boosted pumped by an all-solid-state Q-switched Ti：sapphire laser at 885 nm. The maximum outputs of 825.4 m W and 459.4mW, at 1064nm and 1319nm respectively, are obtained in a 8-ram-thick 1.1 at.% Nd：YAG crystal with 2.1 W of incident pump power at 885nm, leading to a high slope efficiency with respect to the absorbed pump power of 68.5% and 42.0%. Comparative results obtained by the traditional pumping at 808nm are presented, showing that the slope efficiency and the threshold with respect to the absorbed pump power at 1064nm under the 885nm pumping are 12.2% higher and 7.3% lower than those of 808rim pumping. At 1319nm, the slope efficiency and the threshold with respect to the absorbed pump power under 885nm pumping are 9.9% higher and 3.5% lower than those of 808 nm pumping. The heat generation operating at 1064 nm and 1319 nm is reduced by 19.8% and 11.1%, respectively.     

KrF激光受激布里渊散射反射率稳定性的研究

实验研究发现抽运功率密度（或抽运能量）的波动引起的受激布里渊散射(SBS)反射率的不稳定程度受实验参数（抽运能量、介质气压和透镜焦距）的影响.当抽运能量、介质气压和透镜焦距这三个参数同时满足下列条件时可以获得稳定的输出：抽运能量超过5倍的SBS阈值，介质气压在16×105Pa和透镜焦距在15—50cm的范围内；同时还发现当改变实验参数时SBS反射率与稳定性的变化规律完全一致，反射率越高稳定性越好.通过理论分析得到 SBS反射率的相对稳定度实际上是受GIL因子的影响，理论计算与实验符合得很好. 关键词： KrF激光 受激布里渊散射 反射率 稳定度