Interface composition and band alignment issues in high-K gate stacks

Author

Sayan, S. ; Goncharova, L. ; Starodub, D. ; Bartynski, R.A. ; Zhao, X. ; Vanderbilt, D. ; Gustafsson, T. ; Garfunkel, E.

Author_Institution

Dept. of Chem. & Phys., Rutgers Univ., Piscataway, NJ, USA

fYear

2003

fDate

10-12 Dec. 2003

Firstpage

26

Abstract

In this paper, we describe the band structure and phase alignment by first principle DFT calculations to study the properties of the different crystalline structures of HfO₂ and ZrO₂. It is found that the band gap, barrier height and dielectric response of these two materials are phase dependent. Finally, as charge within the dielectric and at the interface remains a critical issue in high-K integration, we briefly discuss correlations between electrical properties, composition and band alignment.

Keywords

crystal structure; density functional theory; dielectric materials; dielectric thin films; energy gap; hafnium compounds; permittivity; zirconium compounds; HfO₂; HfO₂ crystal structure; ZrO₂; ZrO₂ crystal structure; band alignment; band gap; dielectric properties; first principle DFT calculations; high-K gate stacks; Chemistry; Dielectric materials; Gallium arsenide; High K dielectric materials; High-K gate dielectrics; Laboratories; Photoelectricity; Physics; Semiconductor films; X-ray scattering;

fLanguage

English

Publisher

ieee

Conference_Titel

Semiconductor Device Research Symposium, 2003 International

Print_ISBN

0-7803-8139-4

Type

conf

DOI

10.1109/ISDRS.2003.1271978

Filename

1271978