Origin
of Indium Diffusion in High‑<i>k</i> Oxide HfO<sub>2</sub>
Yaoqiao Hu
Changhong Wang
Hong Dong
Robert
M. Wallace
Kyeongjae Cho
Wei-Hua Wang
Weichao Wang
10.1021/acsami.6b01068.s001
https://acs.figshare.com/articles/journal_contribution/Origin_of_Indium_Diffusion_in_High_i_k_i_Oxide_HfO_sub_2_sub_/3102733
Indium (In) out-diffusion through
high-<i>k</i> oxides
severely undermines the thermal reliability of the next generation
device of III-V/high-<i>k</i> based metal oxide semiconductor
(MOS). To date, the microscopic mechanism of In diffusion is not yet
fully understood. Here, we utilize angle resolved X-ray photoelectron
spectroscopy (ARXPS) and density functional theory (DFT) to explore
In diffusion in high-<i>k</i> oxide HfO<sub>2</sub>. Our
ARXPS results confirm the In diffusion through as-prepared and annealed
HfO<sub>2</sub> grown on InP substrate. The theoretical results show
that the In diffusion barrier is reduced to ∼0.88 eV in the
presence of oxygen vacancies (<i>V</i><sub>O</sub>), whereas
this barrier is as high as ∼4.78 eV in pristine HfO<sub>2</sub>. Fundamentally, we found that the high feasibility of In diffusion
is owing to In nonbonding with its neighboring atoms. These findings
can be extended to understand the In diffusion in other materials
in addition to HfO<sub>2</sub>.
2016-03-04 00:00:00
annealed HfO 2
HfO 2.
ARXPS results
results show
metal oxide semiconductor
diffusion barrier
DFT
VO
MOS
InP substrate
oxygen vacancies
Indium Diffusion
generation device