First-principles study of metal-induced gap states in metal/oxide interfaces and their relation with the complex band structure

Pablo Aguado-Puente, Javier Junquera*

*Corresponding author for this work

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

We develop a simple model to compute the energy-dependent decay factors of metal-induced gap states in metal/insulator interfaces considering the collective behavior of all the bulk complex bands in the gap of the insulator. The agreement between the penetration length obtained from the model (considering only bulk properties) and full first-principles simulations of the interface (including explicitly the interfaces) is good. The influence of the electrodes and the polarization of the insulator are analyzed. The method simplifies the process of screening materials to be used in Schootky barriers or in the design of giant tunneling electroresistance and magnetoresistance devices.

Original languageEnglish
Pages (from-to)191-197
Number of pages7
JournalMRS Communications
Volume3
Issue number4
DOIs
Publication statusPublished - 01 Jan 2013
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)

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