基于GW+BSE第一性原理PDP保护层材料Mg_(1-x)Zn_xO激子光谱研究  

First-Principle Calculation of Electronic Structures of Mg_(1-x)Zn_xO Protective Layer in Plasma Display Panel

作　　者：汪佳[1] 屠彦[1] 杨兰兰[1] 李巧芬[1] 戴凯[1] 王保平[1] 

机构地区：[1]东南大学电子科学与工程学院,南京210096

出　　处：《真空科学与技术学报》2015年第4期461-467,共7页Chinese Journal of Vacuum Science and Technology

基　　金：国家自然科学基金项目(61271053);江苏省自然科学基金项目(BK2012737)

摘　　要：Mg O薄膜被认为是等离子体显示器件中介质保护膜的最理想材料。本文基于密度泛函理论的第一性原理,研究了掺锌Mg O保护层材料的特性。通过计算不同掺锌浓度下Mg1-xZnxO复合材料的电子结构,分析相应的能带结构和波态密度分布,并在此基础上通过求解Bethe-Salpeter方程计算相应的动态介电函数,以及激子光谱,激子谐振强度和激子束缚能。结果表明:随着掺锌浓度的增加,Mg1-xZnxO复合材料的禁带宽度和激子束缚能均逐渐减小,激子光谱发生红移。说明Mg O掺杂锌后一方面有利于提高保护层材料的二次电子发射效率降低其着火电压;另一方面有利于提高外逸电子发射,减小等离子体显示器件的寻址jitter,从而增强放电的稳定性。The electronic structure of the Mg1-xZnxO coatings,used as an ideal protective layer in plasma display panel（ PDP）,was approximated,modeled and analyzed in first-principle calculation based on density functional and many-body perturbation theories. The influence of the Zn-doping on the electronic properties of the protective layer,including but not limited to the band structures,density of states,dynamic dielectric function,exciton spectrum and bonding energy,and emission characteristics,was investigated. The calculated results show that the Zn-content has a major impact on the performance of the PDP protective layer. For instance,as the Zn-content increased,the decreased band-gap,reduced exciton binding energy,and red-shift of exciton spectrum strongly improved the emission characteristics of both the secondary electron and exo-electron,resulting in a lower firing voltage,a shorter jitter time,and a higher discharge stability of PDP.

关 键 词：第一性原理 激子光谱 二次电子发射 外逸电子发射 

分 类 号：O469[理学—凝聚态物理]