Atomic simulation of ion implantation into HfO/sub 2/: LEACS vs. TSUPREM4

Abstract

Traditional Monte Carlo ion implantation simulator TSUPREM4 is used to investigate ion implantation into HfO/sub 2/, but cannot get satisfactory results. In this paper, an atomic simulator named LEACS is developed using molecular dynamics method. By virtue of considering the basic physical interactions more precisely and with only one fitting parameter r/sub s//sup 0/ named one electron radius used in the atomic simulator, it is found that LEACS rather than TSUPREM4 has a better precision in simulating ion implantations into HfO/sub 2/. B, As and P implantations into HfO/sub 2/ material in the energy range of ReV to 40 keV are simulated using LEACS. Very high accuracy is achieved in our simulation, which proves that molecular dynamics method is successfully implemented in our atomic simulator and the molecular dynamics method shows greater advantage than Monte Carlo method in TSUPREM4.