Molecular dynamics simulations of wafer bonding

Abstract

Molecular dynamics simulations using empirical potentials have been employed to describe atomic interactions at interfaces created by the macroscopic wafer bonding process. Investigating perfect or distorted surfaces of different semiconductor materials as well as of silica enables one to study the elementary processes and the resulting defects at the interfaces, and to characterize the ability of the potentials used. Twist rotation due to misalignment and bonding over steps influence strongly the bondability of larger areas. Empirical potentials developed by the bond order tight-binding approximation include ∏-bonds and yield enhanced interface structures, energies, and transferability to new materials systems.

Semiconductor wafer bonding

“…The different surface conditions of different oxides and the different chemical behaviour of surface silanol groups were also explained by other authors [26]. The phenomenological models of the wafer bond mechanism were mainly confirmed by molecular dynamic simulations [24,27].…”

Dislocation Networks Formed by Silicon Wafer Direct Bonding

“…The phenomenological models of the wafer bond mechanism were mainly confirmed by molecular dynamic simulations [38,41].…”