稀土对Al-Li合金凝固组织的影响及作用机理研究

本论文借助光学显微镜、电镜、X-射线、差热等金相分析技术研究了稀土（La、Ce、Pr、Nd、MM、Ymm）在单向、自由凝固条件下对Al-Li合金凝固组织的影响，进而分析了稀土的作用机理。实验结果表明，稀土对自由凝固的晶粒及二次枝晶、单向凝固的一次枝晶均有细化作用，这种作用同稀土元素、稀土含量及凝固条件有关。分析认为，在合金凝固过程中由于稀土的富集产生“成分过冷”等作用是影响凝固组织的因素。

甲烷氧化偶联Ti-La-Li系多元氧化物催化剂的研究

本论文较详细地总结了目前文献中有关甲烷氧化偶联催化剂、活性中心及活性氧种、反应机理及动力学和甲烷氧偶联反应（OCM）的影响因素等方面的重要结果；叙述了催化剂的制备和表征方法；系统地研究了Ti-La-Li系多元氧化物催化剂关于OCM反应有关主要活性相及作用机制、催化剂的表面碱性和活性氧种的作用，探讨了Li的含稀土、过渡金属多元氧化物催化剂中的作用，考察了制备方法、焙烧温度和反应条件对OCM反应的影响，同时对催化剂的高温失活机理进行了探讨。

Room-Temperature Ferromagnetism in Co-Doped In2O3 Nanocrystals

Co-doped In2O3 nanocrystals showing room-temperature ferromagnetism have been successfully prepared by a simple sol-gel synthesis route. The sample displays it clear ferromagnetism behavior above 300 K. Phase and structure analyses reveal that the nanocrystals are crystallized with Co ions substituted for In ions in the In2O3 matrix, and no trace of secondary phases or clusters is detected. The experimental results are explained theoretically by first-principles calculations based on density functional theory, which indicate that the native ferromagnetic behavior of Co-doped In2O3 could be mainly ascribed to the strong d-d coupling of the magnetic ions.

Anomalous optical and electronic properties of dense sodium

Based on the density functional theory, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently (Ma et al., 2009). The structure is found optically anisotropic. Through Bader analysis, we conclude that ionicity exists in the structure and becomes stronger with increasing pressure.

First principles study of N-N split interstitial in GaN nanowires

Atomic and electronic properties of N-N split interstitial in GaN nanowires have been investigated using first principles calculations. The formation energy calculations show that the N-N interstitial favors substituting an N atom at the surface of the nanowires. The interstitial induces localized states in the band gap of GaN nanowires.

Electronic structure and magnetic coupling properties of Gd-doped AlN: first-principles calculations

In this work, the electronic structure and magnetic coupling properties of Gd doped AlN have been investigated using first-principles method. We found that in the AlN:Gd system, due to the s-f coupling allowed by the symmetry, the exchange splitting of the conduction band is much larger than that of the valence band, which makes the electron-mediated ferromagnetism possible in this material. This property is also confirmed by the energy differences between anti-ferromagnetic and ferromagnetic phase for Al14Gd2N16 with different concentrations of electrons (holes), as well as by the calculated exchange constants. The result indicates that Gd-doped AlN is a promising candidate for the applications in future spintronic devices.

Charge Separation in Wurtzite/Zinc-Blende Heterojunction GaN Nanowires

The electronic properties of wurtzite/zinc-blende (WZ/ZB) heterojunction GaN are investigated using first-principles methods. A small component of ZB stacking formed along the growth direction in the WZ GaN nanowires does not show a significant effect on the electronic property, whereas a charge separation of electrons and holes occurs along the directions perpendicular to the growth direction in the ZB stacking. The later case provides an efficient way to separate the charge through controlling crystal structure. These results have significant implications for most state of the art excitonic solar cells and the tuning region in tunable laser diodes.

Harmonic Millimeter Wave Generation and Frequency Up-Conversion Using Optical Injection Locking and Brillouin Selective Sideband Amplification

Harmonic millimeter wave (mm-wave) generation and frequency up-conversion are experimentally demonstrated using optical injection locking and Brillouin selective sideband amplification (BSSA) induced by stimulated Brillouin scattering in a 10-km single-mode fiber. By using this method, we successfully generate third-harmonic mm-wave at 27 GHz (f(LO) - 9 GHz) with single sideband (SSB) modulation and up-convert the 2GHz intermediate frequency signal into the mm-wave band with single mode modulation of the SSB modes. In addition, the mm-wave carrier obtains more than 23 dB power gain due to the BSSA. The transmission experiments show that the generated mm-wave and up-converted signals indicate strong immunity against the chromatic dispersion of the fibers.

Room-Temperature Continuous-Wave Operation of InGaN-Based Blue-Violet Laser Diodes with a Lifetime of 15.6 Hours

We report our recent progress of investigations on InGaN-based blue-violet laser diodes (LDs). The room-temperature (RT) cw operation lifetime of LDs has extended to longer than 15.6 h. The LD structure was grown on a c-plane free-standing (FS) GaN substrate by metal organic chemical vapor deposition (MOCVD). The typical threshold current and voltage of LD under RT cw operation are 78 mA and 6.8 V, respectively. The experimental analysis of degradation of LD performances suggests that after aging treatment, the increase of series resistance and threshold current can be mainly attributed to the deterioration of p-type ohmic contact and the decrease of internal quantum efficiency of multiple quantum well (MQW), respectively.

PRESSURE-DEPENDENCE OF PHOTOLUMINESCENCE IN IN(X)GA(1-X)AS/AL(Y)GA(1-Y)AS STRAINED QUANTUM-WELLS WITH DIFFERENT WIDTH

A systematic investigation on the photoluminescence (PL) properties of InxGa1-xAs/AlyGa1-xAs (x = 0.15, y = 0, 0.33) strained quantum wells (SQWs) with well widths from 1.7 to 11.0 nm has been performed at 77 K under high pressure up to 40 kbar. The experimental results show that the pressure coefficients of the exciton peaks corresponding to transitions from the first conduction subband to the heavy-hole subband increase from 10.05 meV/kbar of 11.0 nm well to 10.62 meV/kbar of 1.8 nm well for In0.15Ga0.85As/GaAs SQWs. However, the corresponding pressure coefficients slightly decrease from 9.93 meV/kbar of 9.0 nm well to 9.73 meV/kbar of 1.7 nm well for In0.15Ga0.85As/Al0.33Ga0.67As SQWs. Calculations based on the Kronig-Penney model reveal that the increased or decreased barrier heights and the increased effective masses with pressure are the main reasons of the change in the pressure coefficients.