Origin of HfO2/GaAs interface states and interface passivation: A first principles study

✍ Scribed by Weichao Wang; Ka Xiong; Geunsik Lee; Min Huang; Robert M. Wallace; Kyeongjae Cho

• Publisher: Elsevier Science
• Year: 2010
• Tongue: English
• Weight: 739 KB
• Volume: 256
• Category: Article
• ISSN: 0169-4332
• DOI: 10.1016/j.apsusc.2010.04.048

✦ Synopsis

a b s t r a c t First principles calculations of HfO 2 /GaAs interfaces indicate that the interface states originate from the charge mismatch between HfO 2 and GaAs surfaces. We find that a model neutral interface (HfO 2 and GaAs surfaces terminated with two O and one Ga atoms per surface unit cell) removes gap states due to the balance of the interface charge. F and H can neutralize the HfO 2 /GaAs interface resulting in useful band offsets, thus becoming possible candidates to passivate the interface states.