Unified Simulation of Silicon Oxidation Based on the Interfacial Silicon Emission Model

Abstract

We have simulated silicon oxidation taking into account the emission of a large number of silicon atoms from the interface, which governs the silicon-oxidation rate. The silicon emission model enables the simulation to be done using the oxidant self-diffusivity in the oxide with a single activation energy. The simulation has deduced a silicon emission rate that exhibits a break point in its activation energy at around 1000°C, which is attributed to the viscoelastic properties of the oxide. Using a unified set of parameters, the whole range of oxide thickness is fitted in a wide range of oxidation temperatures (800–1200°C) without any empirical modifications.

Origin of self-assembled step and terrace formation at theSi(001)−SiO2interface

“…Aside from the role of ordered interfacial structures in the morphology's formation, the observed kinetics are shown to be quantitatively consistent with a model in which Si atoms are emitted from the interface into the oxide during high-temperature annealing, diffuse, and return to the interface. [10][11][12] The occurrence of the Si(001)-SiO 2 interfacial stepterrace morphology was observed during other research which we will not describe here, 13 but which was the reason for the sample structure typically employed. The Si͑001͒ substrate was covered with a 100-nm-thick thermal oxide grown in a dry O 2 atmosphere at 1000°C for 100 min.…”

Oxidation of the Si(001) Surface: Lateral Growth and Formation ofPb0Centers

“…In addition to this, we find another almost degenerate metastable structure, where Si (14) and Si(15) come closer and form a trimer together with Si(10), resulting in two isolated DBs on Si(6) and Si (18). If we remove Si (20) as well, the Si atoms in the fourth layer condense into three trimers with no dangling bonds at all. The energy gain is 0:49 eV=trimer.…”

Oxidation of silicon: Further tests for the interfacial silicon emission model

“…Consequently, one should not be surprised by the good fitting to Series 1 of Si͑111͒ dry oxidation curves at 1 atm and to Series 2 of curves for P O 2 Ͼ 1 atm. 6,7 The same consideration applies to Series 4 of wet oxidation curves. 7 At this stage, and similar to what has been said for many other kinetic models, 20 good fit to experiment cannot be taken as proof of model correctness.…”

“…Uematsu et al have succeeded in fitting several series of X͑t͒ curves with very good accuracy: Series 1, dry oxidation of Si͑100͒ at 1 atm measured by several authors in the 800− 1200°C temperature range, 6,7 notably the experimental points by Massoud et al 8 in the thin oxide regime; Series 2, the oxygen pressure dependence in the 1-20 atm range and thickness above 100 Å ͑Refs. 7 and 9͒ measured by Lie et al; 10 Series 3, dependence on Si substrate orientations ͑100͒ and ͑111͒ at several temperatures and oxygen pressures 11 measured by Massoud et al 8 and Lie et al; 10 and Series 4, a similar series for wet oxidation.…”