Atomistic approach for modeling metal-semiconductor interfaces

Publication: Research - peer-reviewArticle in proceedings – Annual report year: 2016

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We present a general framework for simulating interfaces using an atomistic approach based on density functional theory and non-equilibrium Green's functions. The method includes all the relevant ingredients, such as doping and an accurate value of the semiconductor band gap, required to model realistic metal-semiconductor interfaces and allows for a direct comparison between theory and experiments via the I–V curve. In particular, it will be demonstrated how doping — and bias — modifies the Schottky barrier, and how finite size models (the slab approach) are unable to describe these interfaces properly due to a poor representation of space-charge effects.
Original languageEnglish
Title of host publicationProceedings of the 16th International Conference on Nanotechnology
Number of pages4
PublisherIEEE
Publication date2016
Pages895-898
ISBN (electronic)9781509014934
DOIs
StatePublished - 2016
EventIEEE 16th International Conference on Nanotechnology - Sendai, Japan

Conference

ConferenceIEEE 16th International Conference on Nanotechnology
CountryJapan
CitySendai
Period22/08/201625/08/2016
CitationsWeb of Science® Times Cited: No match on DOI
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