Title :
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
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;
Conference_Titel :
Semiconductor Device Research Symposium, 2003 International
Print_ISBN :
0-7803-8139-4
DOI :
10.1109/ISDRS.2003.1271978
