Ab initio calculations of the structural, electronic and dynamical properties of high-k dielectrics

Gian Marco Rignanese, Xavier Gonze, Alfredo Pasquarello

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

Abstract

The accurate prediction of materials properties is one of the pivotal goals of computational condensed matter physics. In this framework, the density functional theory (DFT) has emerged as an extremely successful approach. The success of DFT not only encompasses standard bulk materials but also complex systems such as proteins and carbon nanotubes.

Original languageEnglish
Title of host publicationHigh-K Gate Dielectrics
PublisherCRC Press
Pages431-466
Number of pages36
ISBN (Electronic)9781420034141
ISBN (Print)9780750309066
Publication statusPublished - 1 Jan 2003
Externally publishedYes

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