Neutron Irradiation Effect in Two-Dimensional Electron Gas of AlGaN/GaN Heterostructures

AlGaN/GaN heterostructures have been irradiated by neutrons with different fluences and characterized by means of temperature-dependent Hall measurements and Micro-Raman scattering techniques. It is found that the carrier mobility of two-dimensional electron gas （2DEG） is very sensitive to neutrons. At a low fluence of 6.13 × 10^15 cm^-2, the carrier mobility drops sharply, while the sheet carrier density remains the same as that of an unirradiated sample. Moreover, even for a fluence of up to 3.66 × 10^16 cm^-2, the sheet carrier density shows only a slight drop. We attribute the degradation of the figure-of-merit （product of ns×μ ） of 2DEG to the defects induced by neutron irradiation. Raman measurements show that neutron irradiation does not yield obvious change to the strain state of AlGaN/GaN heterostructures, which proves that degradation of sheet carrier density has no relation to strain relaxation in the present study. The increase of the product of ns × μ of 2DEG during rapid thermal annealing processes at relatively high temperature has been attributed to the activation of GeGa transmuted from Ga and the recovery of displaced defects.     

掺P石墨烯结构和电子性质的第一性原理研究

基于密度泛函理论第一性原理,在广义梯度近似下,本文研究本征石墨烯和掺杂不同浓度P的石墨烯结构和电子性质并发现本征石墨烯禁带宽度为零;对于P∶C掺杂比分别为1∶17、1∶7、1∶1的石墨烯,其P-C键长由0.142nm的C-C键分别增大为0.1629 nm、0.1625 nm、0.1751 nm,其对应带隙分别由零带隙变为0.28 eV、0.44 eV、1.21eV:费米能级逐渐下降.分析分波态密度后发现,在掺P石墨烯中主要为P原子的3p态电子影响其总态密度.     

Growth and Annealing Study of Mg-Doped AlGaN and GaN/AlGaN Superlattices

Mg-doped AlGaN and GaN/AlGaN superlattices are grown by metalorganic chemical vapour deposition （MOCVD） Rapid thermal annealing （RTA） treatments are carried out on the samples. Hall and high resolution x-ray diffraction measurements are used to characterize the electrical and structural prosperities of the as-grown and annealed samples, respectively. The results of hall measurements show that after annealing, the Mg-doped AIGaN sample can not obtain the distinct hole concentration and can acquire a resistivity of 1.4 ×10^3 Ωcm. However, with the same annealing treatment, the GaN/AlGaN superlattice sample has a hole concentration of 1.7 × 10^17 cm-3 and a resistivity of 5.6Ωcm. The piezoelectric field in the GaN/AlGaN superlattices improves the activation efficiency of Mg acceptors, which leads to higher hole concentration and lower p-type resistivity.     

淀粉和生物降解大分子间的半互穿聚合物网络的耐水性研究

以淀粉和可生物降解的PCL或PHBV等疏水性脂肪族聚酯为原料, 制备了淀粉基的Semi-IPN材料. 加入PCL或PHBV等疏水性大分子的使淀粉基Semi-IPN材料的耐水性能相对于原淀粉有很大的改善, 通过热处理和溶剂化作用能使Semi-IPN的耐水性进一步提高.     

闪锌矿结构AlSb空位缺陷性质的第一性原理研究

采用基于密度泛函理论(DFT)第一性原理的平面波超软赝势方法,计算含有锑空位和铝空位的AlSb电子结构,发现空位引起周围原子弛豫,晶体结构发生畸变.在此基础上研究了空位缺陷对闪锌矿型AlSb体系电子结构的影响,结果表明,铝空位缺陷使锑化铝费米能级降低,带隙变窄;而锑空位缺陷则使锑化铝费米能级升高,带隙变窄,同时,锑化铝的半导体类型由p型变为n型.对光学性质的研究发现,由于空位的引入使其邻近原子电子结构发生变化,使得空位缺陷系统光学性质的变化主要集中在低能量区域.     

N2对HF泛频激光振转能级粒子数分布的影响

基于多体展式方法所导出的N2HF的分析势能函数,用准经典的Monte Carlo轨迹法研究了N2HF(v′,J′)→N2+HF(v″,J″)振转非弹性碰撞过程.结果指出:N2对HF的振动能级的粒子分布影响较大,在较低相对平动能下,对HF转动能级有弛豫作用.     

One-Pot Synthesis of 4-Aminoquinazolines by Hexamethyldisilazane-Mediated Reaction of Quinazolin-4(3H)-ones with Amines

Hexamethyldisilazane-mediated reaction of quinazolin-4(3H)-ones with primary amines led to facile formation of 4-aminoquinazolines through tandem silylation and substitution in a single pot. Excellent yields of the products (83–97%) and environmental friendliness (avoiding the use of chlorination reagents) are the advantages of this method.      

一种计算固体冷能、冷压和结合能的新方法

 给出了利用Hugoniot参数计算材料冷能、冷压和结合能的一种新方法，对52种纯元素单质固体材料的计算表明，该方法的计算误差较小，对计算碱金属等外层电子数较少的材料效果尤佳。利用文中给出的冷能、冷压公式，计算出的铝、铜、银和锌等材料的冲击绝热线与实验数据符合得非常好。     

簇合物[WS4Ag3(PPh3)3{S2P(OCH2Ph)3}]的合成、晶体结构及非线性光学性质

本文用(NH₄)₂WS₄，Ag[S₂P(OCH₂Ph)₂]和PPh₃为原料合成了簇合物[WS₄Ag₃(PPh₃)₃{S₂P(OCH₂Ph)₃}]，并得到了晶体。晶体属正交晶系，空间群为P2₁2₁2₁，晶胞参数a=1.32370(4)nm，b=1.34427(4)nm，c=3.83246(11)nm。X-射线单晶结构测定结果表明它具有巢状分子结构，配体(PhCH₂O)₂PS₂^-(简称dtp)的两个S原子中的一个硫原子仅与一个金属原子配位，另一个硫原子则同时与两个金属原子配位。簇合物的非线性光学性质用脉宽8ns激光在532nm波长进行了研究。该化合物表现为一定的光学吸收和强的自聚焦效应，其三阶非线性吸收系数α₂=1.50×10^-10m·W^-1，折射系数n₂=2.45×10^-11esu。     

甲苯热解机理的AM1研究(Ⅰ)热力学分析

在实验的基础上,本文用Gaussian98程序包中AM1法UHF计算,对碳材料用碳前驱体甲苯的热裂解反应机理进行了研究。在对反应物,产物自由基的结构进行能量梯度法全优化的同时,计算了不同温度下的标准热力学参数（298－1073K）。热力学计算结果表明：（1）当甲苯的热裂解温度相对较低时（773K左右）,热力学计算结果首先支持苯环上甲基C－H键的断裂生成苯基自由基并继而生成联二甲苯的反应;随着温度的提高（达1073K时）,生成苯自由基和甲基自由基的反应比例将大生成苄基自由基的比例;该反应机理与实验结果基本一致。（2）采用Gaussian98程序包中AM1法中的UHF计算,较适合低级芳香烃热裂解反应机理的理论研究。