Abstract
First-principles analysis is applied in relating microstructures with properties of interfacial nanoscaled oxide layers of bonded N - and P -type GaAs wafers. Using high-resolution transmission electron microscope results, the detailed atomic arrangements of materials specimen can be obtained and fed into the first-principles calculations. Therefore, the corresponding electronic structure and associated property can be reliably derived to identify responsible microstructural features. The electrical performance is found to be closely related to the variation of nanosized interface morphology and types of wafers. © 2007 American Institute of Physics.