Local-property analysis for modeling of gate insulator materials

We have constructed fundamental theories for electronic properties and dielectric breakdown of gate insulator materials in nano-CMOS devices based on the Rigged QED theory and the regional density functional theory. Simulations about dielectric properties and reliability due to these theories have been carried out for SiO
2
, ZrO
2
, HfO
2
, Zr
x
Si
1-x
O
2
, Hf
x
Si
1-x
O
2
, Gd
x
O
y
, La
x
O
y
, and SiO
x
N
y
through the modeling of nano-CMOS system such as crystal and amorphous thin films. Furthermore, we have reported development of the nucleus-electron multiple dynamics program codes following the Rigged QED theory.