【无机化学学报】doi: 10.11862/CJIC.2022.280
To explore the potential applications of AlN in optoelectronic devices, the electronic structure and optical properties of AlN with different Lu doping concentrations (denoted as Al1-xLuxN, where x is the atomic fraction of Lu) were calculated by first-principles. The results show that the supercell volume of Al1-xLuxN increases with the increase of Lu doping concentration, while the bandgap does the opposite. The static dielectric constant of Al1-xLuxN increases in the low-energy region with the increase of Lu doping concentration. As Lu doping concentration increases, the peak intensity of reflectivity, refractive index, and absorption coefficient decrease, and the peaks shift to lower energy. The energy-loss spectra of Al1-xLuxN exhibit obvious plasma oscillation features, and the peaks are lower than that of the intrinsic AlN. The photoconductivity of Al1-xLuxN increases sharply in the low-energy region with the increase of energy.
【无机化学学报】doi: 10.11862/CJIC.2016.224
采用高温固相法制备了Ce、Sm共掺Lu3Al5O12荧光粉。通过X射线衍射分析、荧光光谱分析研究了样品的结构、发光特性,并通过理论计算研究了能量传递效率、能量传递的临界距离以及能量传递方式。X射线衍射分析表明所制备的荧光粉具有单一的石榴石结构;荧光光谱分析表明,在464 nm蓝光激发下,Sm3+的引入可增加Lu3Al5O12:Ce,Sm发射光谱中红光成分,并且随着Sm3+浓度的增加,Ce3+发光强度逐渐减弱。计算出Ce3+、Sm3+之间的能量传递效率高达77.42%,确定了Ce3+、Sm3+之间的能量传递机制为偶极-偶极相互作用。
Dutt[1]曾合成稀土离子与N,N-二(邻羟基亚甲基)乙二胺的稀土双希夫碱配合物。但未见报道Eu(Ⅲ),Tb(Ⅲ),Ho(Ⅲ),Tm(Ⅲ),Lu(Ⅲ)与双希夫碱N,N-二(邻羟基亚甲基)乙二胺的配合物。本工作合成了这5种双希夫碱配合物。所用稀土氧化物纯度大于99.9%(上海跃龙化工厂)。水杨醛(CP,用前经减压蒸馏提纯)。稀土硝酸盐Ln(NO3)3·xH2由稀土氧化物与硝酸反应制得。其余试剂均为分析纯。
用交流电桥法测定了熔融KCl-NaCl(1:1摩尔)-RECl3的电导。比电导的温度函数表达式如下: k=A+B(t-700) k:比电导(Ω-1·cm-1);t:温度(700-850℃); A、B:本文给出的常数。讨论了实验值与计算值的偏差,当稀土氯化物在熔体中的浓度为10-50重量百分数时可能形成了络合物。