Journal
IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION
Volume 15, Issue 1, Pages 170-177Publisher
IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
DOI: 10.1109/T-DEI.2008.4446748
Keywords
dielectric films; dielectric polarization; interface phenomena; density functional theory; electronic structure
Ask authors/readers for more resources
First-principles computational methodologies are presented to study the impact of surfaces and interfaces on the dielectric and electronic properties of emerging technologically important systems over length scales of the order of inter-atomic distances. The variation of dielectric constant across Si-SiO2, Si-HfO2 and SiO2 polymer interfaces has been correlated to interfacial chemical bonding environments, using the theory of the local dielectric permittivity. The local electronic structure variation across Si-HfO2 and SiO2-polymer interfaces, including band bending, band offsets and the creation of interfacial trap states have been investigated using a layer-decomposed density of states analysis. These computational methods form the groundwork for a more thorough analysis of the impact of surfaces, interfaces, and atomic level defects on dielectric and electronic properties of a wide variety of nanostructured systems.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available