Atomic Level Insight into the Variation and Tunability of Band Alignment between Si and Amorphous SiO_(2)/HfO_(2)  

作　　者：Wen-Feng Li Ting-Wei Liu Zheng-Mei Yang Lin-Wang Wang Yue-Yang Liu 李文峰;刘亭炜;杨正美;汪林望;刘岳阳(State Key Laboratory of Information Photonics and Optical Communications,School of Science,Beijing University of Posts and Telecommunications,Beijing 100876,China;State Key Laboratory of Semiconductor Physics and Chip Technologies,Institute of Semiconductors,Chinese Academy of Sciences,Beijing 100083,China)

机构地区：[1]State Key Laboratory of Information Photonics and Optical Communications,School of Science,Beijing University of Posts and Telecommunications,Beijing 100876,China [2]State Key Laboratory of Semiconductor Physics and Chip Technologies,Institute of Semiconductors,Chinese Academy of Sciences,Beijing 100083,China

出　　处：《Chinese Physics Letters》2025年第1期147-152,共6页中国物理快报(英文版)

基　　金：supported by the National Natural Science Foundation of China(Grant Nos.62174155,12334005,and T2293702);the CAS Project for Young Scientists in Basic Research(Grant No.YSBR-056);the MIND Project(Grant No.MINDKT202403)。

摘　　要：The band alignment between silicon and high-k dielectrics,which is a key factor in device operation and reliability,still suffers from uncontrolled fluctuations and ambiguous understanding.In this study,by conducting atomic-level ab initio calculations on realistic Si/SiO_(2)/HfO_(2)stacks,we reveal the physical origin of band alignment fluctuations,i.e.,the oxygen density-dependent interface and surface dipoles,and demonstrate that band offsets can be tuned without introducing other materials.This is instructive for reducing the gate tunneling current,alleviating device-to-device variation,and tuning the threshold voltage.Additionally,this study indicates that significant attention should be focused on model construction in emerging atomistic studies on semiconductor devices.

关 键 词：tuning ALIGNMENT instru 

分 类 号：O469[理学—凝聚态物理]