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First-Principles study of HfO2/:GaAs interface passivation by Si and Ge

Published online by Cambridge University Press:  31 January 2011

Weichao Wang ,
Ka Xiong ,
Geunsik Lee ,
Min Huang ,
Robery M. Wallace  and
Kyeongjae Cho
Weichao Wang
Affiliation:
wcwang3279@gmail.com, Material Sciences and Engineering, Richardson, United States
Ka Xiong
Affiliation:
kaxiong0124@yahoo.com, Material Sciences and Engineering, Richardson, United States
Geunsik Lee
Affiliation:
leegeunsik@utdallas.edu, Department of Physics, Richardson, United States
Min Huang
Affiliation:
huangmin0225@hotmail.com, Department of Physics, Richardson, United States
Robery M. Wallace
Affiliation:
rmwallace@utdallas.edu, Material Sciences and Engineering, Richardson, United States
Kyeongjae Cho
Affiliation:
kjcho@utdallas.edu, Material Sciences and Engineering, Richardson, United States
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Abstract

We investigated the HfO2:GaAs interface electronic structure and interface passivation by first principles calculations. The HfO2:GaAs interface of HfO2 terminated with four O atoms and GaAs terminated two Ga atoms is found to be the most energetically favorable. It is found that the interface states mainly arise from the interfacial charge mismatch, more specifically from the electron loss of interfacial As. Si or Ge as an interfacial passivating layer helps to maintain the charge of interfacial As and hence reduce the interface states.

Keywords

electronic structureelectronic materialIII-V
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1155: Symposium C – CMOS Gate-Stack Scaling–Materials, Interfaces and Reliability Implications , 2009 , 1155-C09-15
Copyright
Copyright © Materials Research Society 2009

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