The interface structure of a high permittivity (high-κ) oxide with Si substrate affects the electrical properties of the high-κ based transistors. Our theoretical analysis suggests that the formation of a SiO2 layer at the high-κ/Si interface originates from the instability of a Si impurity in the high-κ oxide. Our computational results revealed that the Si impurity is much more stable in La2O3 than in HfO2, indicating La2O3 is a silicate former, while SiO2 is likely to precipitate at the HfO2/Si interface.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Surfaces, Coatings and Films
- Electrical and Electronic Engineering