First-Principles Study for Evidence of Low Interface Defect Density at Ge/GeO2 Interfaces
Abstract
We present the evidence of the low defect density at Ge/GeO2 interfaces in terms of first-principles total energy calculations. The energy advantages of the atom emission from the Ge/GeO2 interface to release the stress due to the lattice mismatch are compared with those from the Si/SiO2 interface. The energy advantages of the Ge/GeO2 are found to be smaller than those of the Si/SiO2 because of the high flexibility of the bonding networks in GeO2. Thus, the suppression of the Ge-atom emission during the oxidation process leads to the improved electrical properties of the Ge/GeO2 interfaces.
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