The conductive path in HfO_2:first principles study  

作　　者：周茂秀 赵强 张伟 刘琦 代月花 

机构地区：[1]Institute of Electronic and Information Project,Anhui University [2]Laboratory of Nano-Fabrication and Novel Device Integrated Technology,Institute of Microelectronics,Chinese Academy of Sciences

出　　处：《Journal of Semiconductors》2012年第7期7-10,共4页半导体学报（英文版）

基　　金：supported by the National Youth Science Foundation,China(No.61006064)

摘　　要：The conductive path formed by the interstitial Ag or substitutional Ag in Hf02 was investigated by using the Vienna ab initio simulation package based on the DFT theory. The calculated results indicated that the ordering of interstitial Ag ions at special positions can form a conductive path, and it cannot form at other positions.The orientation dependence of this conductive path was then investigated. Various types of super cells are also built to study the rupture of the path, which corresponds to some possible ＂off＂ states.The conductive path formed by the interstitial Ag or substitutional Ag in Hf02 was investigated by using the Vienna ab initio simulation package based on the DFT theory. The calculated results indicated that the ordering of interstitial Ag ions at special positions can form a conductive path, and it cannot form at other positions.The orientation dependence of this conductive path was then investigated. Various types of super cells are also built to study the rupture of the path, which corresponds to some possible ＂off＂ states.

关 键 词：resistance switching mechanism DFT conductive path lattice orientation 

分 类 号：TP333[自动化与计算机技术—计算机系统结构]