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Molecular dynamics simulation of amorphous HfO <sub>2</sub> for resistive RAM applications

TitleMolecular dynamics simulation of amorphous HfO 2 for resistive RAM applications
Publication TypeJournal Article
Year of Publication2014
AuthorsBroglia G, Ori G, Larcher L, Montorsi M
JournalModelling and Simulation in Materials Science and Engineering
Volume22
Issue6
Pagination Article Number 065006
Date PublishedSep-2014
ISSN0965-0393
Abstract

HfO2 is widely investigated as the favoured material for resistive RAM device implementation. The structural features of HfO2 play a fundamental role in the switching mechanisms governing resistive RAM operations, and a comprehensive understanding of the relation between the atomistic properties and final device behaviour is still missing. In addition, despite the fact that ultra-scaled 10 nm resistive RAM will probably be made of amorphous HfO2, a deeper investigation of the structure is necessary. In this paper, the classical molecular dynamics technique was used to investigate the disordered atomic configuration of amorphous HfO2. The influence of density on both the atomistic structure and the diffusion of O species was carefully analysed. The results achieved show that the atomistic structure of an amorphous HfO2 system is strongly affected by the density, and the amorphous system is rearranged in an atomic configuration similar to the crystalline configuration at similar densities. The diffusion of oxygen atoms increases with the decrease of the density, consistent with a less-packed atomic structure which allows for easier movement of this species.

URLhttp://stacks.iop.org/0965-0393/22/i=6/a=065006?key=crossref.b7d708e3a43b9124ea539668eee311b0
DOI10.1088/0965-0393/22/6/065006
Short TitleModelling Simul. Mater. Sci. Eng.
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