Electronic structure and band offsets of high-dielectric-constant gate oxides

Identifying candidate materials to replace SiO 2 as the gate dielectric for complementary metal oxide semiconductor (CMOS) applications is a difficult task. Proper assessment of the critical materials requirements is essential, and it is important to devise an approach to predict materials properties without having to make many unnecessary measurements on high-K materials. Such an approach helps to eliminate unlikely candidates and focus on the most promising ones. Clearly, this type of modeling approach requires an understanding of several physical and chemical characteristics, including the bonding and electronic structure, band alignment with Si, and the nature of the dielectric constant and interface properties. We present a critical assessment of some existing methods and models of materials properties, as well as a comparison of the present modeling approach with some experimentally determined values.

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