1 西南民族大学电子信息工程国家民委重点实验室，成都 610041
2 郑州轻工业大学磁电信息功能材料重点实验室，郑州 450002
采用第一性原理的密度泛函理论平面波赝势法, 通过投影缀加波(PAW)和广义梯度近似(GGA)系统地研究了Ti3(ZnxAl1-x)C2的结构、能量、声子性质、电子性质和弹性性质。对MAX相Ti3AlC2晶体中A位置的Al元素用Zn元素进行替换掺杂，构建出Ti3(ZnxAl1-x)C2(x=0,0.25,0.5,0.75,1)固溶体结构模型。计算分析表明: 在所研究的掺杂浓度范围内Ti3(ZnxAl1-x)C2均是热力学、动力学和力学稳定的脆性材料; 此外，Ti3(ZnxAl1-x)C2(x=0,0.25,0.5,0.75,1)均呈现金属性，在费米能级处的电子态密度主要贡献来自Ti-3d态，同时具有离子键、共价键和金属键的综合性质。随着Zn原子掺杂浓度的增加，在一定程度上其导电性和塑性均增强。
MAX相 低维晶态材料 第一性原理 电子性质 弹性性质 声子性质 Ti3(ZnxAl1-x)C2 Ti3(ZnxAl1-x)C2 MAX phase low dimensional crystalline material first-principle electronic property elastic property phonon property
Author Affiliations
Abstract
1 College of Photonic and Electronic Engineering, Fujian Normal University, Fuzhou 350007, China
2 Department of Physics and Electronic Information Engineering, Minjiang University, Fuzhou 350108, China
A tunable dual-band infrared polarization filter is proposed and investigated. Based on the perfect absorption characteristic of the metal-dielectric-metal sandwich structure, the reflection spectrum performs as a filter. The filter consists of three layers. The top layer is a compound metal nano-structure array comprised of rectangular strips. The middle and bottom layers are a dielectric spacer and metal film, respectively. The calculated results show that the filter properties are closely related to the polarization of the incident light. Different dual-band wavelengths are filtered while the incident light has different polarizations, which are parallel or vertical to the x axis. Moreover, it is found that the resonant wavelength strongly depends on the length of the rectangular strip (which causes the resonant effect) and is independent of other strips. Therefore, the filter wavelengths can be tuned freely by adjusting the length of the corresponding rectangular strip. In addition, the calculated results show that all of the intensities at the filter wavelengths are closed to zero, which implies that the filter exhibits good filtering performance.
130.0130 Integrated optics 130.7408 Wavelength filtering devices 130.3990 Micro-optical devices Chinese Optics Letters
2015, 13(3): 031301
