中文摘要：

电荷陷阱存储器（CTM）由于其分离式电荷存储原理,可以使存储器件尺寸持续小尺寸化,理论上解决了传统浮栅存储器小尺寸化瓶颈的限制。基于第一性原理,从理论上对CTM材料及相关结构进行了模拟计算,采用Material Studio软件包,对多种电荷俘获材料进行改性,引入陷阱,并对其能带、状态密度、缺陷态密度等方面展开模拟研究。为CTM实验提供了非常有效的理论依据与方法,从该角度出发研究存储器是一个全新的视角,提出可以通过陷阱态密度曲线的部分积分来确定CTM的存储窗口等衡量指标。

英文摘要：

Charge trapping memory（CTM） can make the memory device size keep scaling down due to its discrete charge storage principle,which solves the bottleneck of device size miniaturization existing in traditional float gate flash memory theoretically.Some simulation caculations about the CTM material and related structure were carried out based on first-principles theory,and some modifications on several kinds of charge trapping materials for introducing traps were made by Material Studio software package.Besides that,a wide range of simulation study on the materials were carried out,such as the energy bands,density of states and defect density of states.All these work offers a very effective theoretical basis and method for the CTM research,which is a totally new perspective.It proposes that the partial curve calculus of the trap density of states have a great influence on the CTM memory windows and other reference indexes.