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• W2000841632 abstract "We describe several applications of first-principles computational methods based on density functional theory (DFT) to the study of potential gate dielectric materials. First we investigate the stability of binary alkaline earth oxides in contact with Si and SiO2. In particular, we consider the case of SrO, which is important for the epitaxial growth of the SrTiO3 perovskite structure on the Si (001) surface. Then we discuss the energetics of the SrTiO3 (001) surface. We conclude with a brief discussion of the structure and electronic properties of crystalline ZrO2 and HfO2." @default.
• W2000841632 created "2016-06-24" @default.
• W2000841632 creator A5080915325 @default.
• W2000841632 date "2001-07-01" @default.
• W2000841632 modified "2023-10-16" @default.
• W2000841632 title "Investigating Alternative Gate Dielectrics: A Theoretical Approach" @default.
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• W2000841632 doi "https://doi.org/10.1002/1521-3951(200107)226:1<57::aid-pssb57>3.0.co;2-l" @default.
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