Molecular Dynamics Simulation of Ion Implantation into HfO2and HfO2/Si Multi-Layer Structure

Abstract

We simulate the B, As and P implantations into HfO2 from 3 keV to40 keV by a simulator LEACS developed based on molecular dynamics methodand by the traditional Monte Carlo simulator TSUPREM4 respectively. TheLEACS results accurately fit with the SIMS (secondary ion massspectroscopy) data, while the TSUPREM4 results deviate from the SIMSdata obviously except B implantation. Based on the verification of thesimulator, influence of the oxide thickness on the retained rangeprofiles in the Si layer has been quantitatively investigated in thecase of HfO2/Si and SiO2/Si structures. The rangeprofiles in the Si layer through HfO2 shift to the surface obviouslyfor about 0.68 times of the oxide layer thickness on the average incomparison to those through SiO2. It can be predicted that thiseffect will have a significant impact on MOSFET (metallic oxide semiconductorfield effect transistor) device performance in the integrated circuitprocess of the next decade if HfO2 is used to replace SiO2 asthe gate dielectric.