Abstract
In nanoscale devices, trapping and de-trapping of single carrier charge caused by few defects in ultrathin gate dielectrics can affect the drain current significantly [1-4]. The oxygen vacancy in gate oxides is mostly considered as the criminal defect [1]. Recently, the stochastic charge trapping or dynamic behaviors (charging and discharging) of defect and its frequency dependence have been paid much attention with experiments [1-6]. The concept of metastable states of defect has been proposed for explaining its complete dynamics [1,5-9]. However, the atomistic origin of the stochastic single-charge trapping behavior and the missing metastable states are still not clear. In this paper, the stochastic defect transitions in SiO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> and HfO <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> gate dielectrics are investigated by using ab-initio simulation of atomistic defect model, and the possible metastable defect states are directly obtained from climbing nudged elastic band simulation.
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