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Interface model for HfO2 gate stack from first principles calculations and its application to nanoscale device simulations

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4 Author(s)
Shin, Mincheol ; Department of Electrical Engineering, KAIST, Daejeon 305-701, Republic of Korea ; Yongjin Park ; Kong, Ki-Jeong ; Chang, Hyunju

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Rigorous first-principles calculations are performed to address the interface properties of HfO2 gate stacks with interlayer (IL). The band-gap and dielectric constant change nonabruptly at the HfO2/IL and IL/Si interfaces with transition regions of a few angstrom wide. Device-level simulations are then performed with the interface properties reflected, and electrostatics, gate-leakage and drain currents are found to be substantially influenced by the presence of the transition regions. Based on the findings, the equivalent single-layer model as a practical guide to the modeling and simulation of HfO2 gate stacks is proposed.

Published in:

Applied Physics Letters  (Volume:98 ,  Issue: 17 )