Computational Study of Conduction and Breakdown Mechanisms in Metal Oxide Dielectric Insulators R. Ramprasad, Department of Chemical, Materials & Biomolecular Engineering, University of Connecticut, Storrs, CT
Density functional theory calculations to determine point defect dynamics & position dependent dielectric constant and band structure profiles of Si-HfO2 interfaces
Dielectric Constant Profile Si
HfO2
O Interstitial Dynamics Si HfO2 Hf O Band Structure Profile
6 . 7 Å
Valence band offset: 3.1 eV Expt.: 3.0-3.3eV
