红外与毫米波学报, 2017, 36 (4): 460, 网络出版: 2017-10-12
尖晶石结构LiTi2O4薄膜光学性质研究
AThe optical properties of the spinel LiTi2O4 thin film
第一性原理 椭偏光谱 消光系数 过渡金属氧化物 高温超导 first-principles ellipsometry extinction coefficient transition-metal oxides high temperature superconductor
摘要
用激光脉冲沉积(PLD)方法, 以MgAl2O4(001)为衬底制备了过渡金属氧化物LiTi2O4薄膜.采用X射线衍射(XRD)对所制备材料进行结构测试, 结果表明, 材料具有立方尖晶石单相结构, 结晶性能良好.应用拉曼光谱和光谱椭偏仪(SE)分别研究了材料在常温下的拉曼活性声子特性和可见-近红外波段的折射率和消光系数.应用第一性原理计算了LiTi2O4材料的能带结构和态密度, 结果表明理论计算结果和实验测试结果具有很好的一致性, 能带计算结果能够很好的解释薄膜的光学常数.
Abstract
Transition-metal oxides LiTi2O4 thin film was epitaxially grown on MgAl2O4 (001) substrate by pulsed-laser deposition. The X-ray diffraction indicates that the film was successfully grown with high quality and single cubic spinel phase. The Raman-active phonons were studied by Raman spectroscopy. Using spectroscopic ellipsometry, we also determined the refractive index and extinction coefficient of the film in visible-near-infrared region. Band structure and density of states (DOS) of LiTi2O4 were carried out by first-principles calculations. The theoretical calculations are consistent with the experimental results, and the optical constants is well identified by the theoretical band structure.
赵明琳, 刘宇翔, 连洁, 石玉君, 宋浩男, 贾艳丽, 金魁, 杨修伦. 尖晶石结构LiTi2O4薄膜光学性质研究[J]. 红外与毫米波学报, 2017, 36(4): 460. ZHAO Ming-Lin, LIU Yu-Xiang, LIAN Jie, SHI Yu-Jun, SONG Hao-Nan, JIA Yan-Li, JIN Kui, YANG Xiu-Lun. AThe optical properties of the spinel LiTi2O4 thin film[J]. Journal of Infrared and Millimeter Waves, 2017, 36(4): 460.