Assessing hafnium on hafnia as an oxygen getter

doi:10.1063/1.4876262

Paper

Assessing hafnium on hafnia as an oxygen getter

Published May 12, 2014 · A. O’Hara, G. Bersuker, A. Demkov

Journal of Applied Physics

37

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Abstract

Hafnium dioxide or hafnia is a wide band gap dielectric used in a range of electronic applications from field effect transistors to resistive memory. In many of these applications, it is important to maintain control over oxygen stoichiometry, which can be realized in practice by using a metal layer, specifically hafnium, to getter oxygen from the adjacent dielectric. In this paper, we employ density functional theory to study the thermodynamic stability of an interface between (100)-oriented monoclinic hafnia and hafnium metal. The nudged elastic band method is used to calculate the energy barrier for migration of oxygen from the oxide to the metal. Our investigation shows that the presence of hafnium lowers the formation energy of oxygen vacancies in hafnia, but more importantly the oxidation of hafnium through the migration of oxygen from hafnia is favored energetically.

Study Snapshot

Hafnium on hafnia effectively controls oxygen stoichiometry in electronic applications by lowering oxygen vacancy formation energy and favoring oxygen migration from hafnia to the metal.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

Assessing hafnium on hafnia as an oxygen getter

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