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The oxides of platinum group metals are promising for future electronics and spintronics due to the delicate interplay of spin-orbit coupling and electron correlation energies. However, their synthesis as thin films remains challenging due to their low vapour pressures and low oxidation potentials. Here we show how epitaxial strain can be used as a control knob to enhance metal oxidation. Using Ir as an example, we demonstrate the use of epitaxial strain in engineering its oxidation chemistry, enabling phase-pure Ir or IrO2 films despite using identical growth conditions. The observations are explained using a density-functional-theory-based modified formation enthalpy framework, which highlights the important role of metal-substrate epitaxial strain in governing the oxide formation enthalpy. We also validate the generality of this principle by demonstrating epitaxial strain effect on Ru oxidation. The IrO2 films studied in our work further revealed quantum oscillations, attesting to the excellent film quality. The epitaxial strain approach we present could enable growth of oxide films of hard-to-oxidize elements using strain engineering.
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Oxidation Induced Stresses in High-Temperature Oxidation of Steel: A Multiphase Field Study
Oxide growth and the induced stresses in the high-temperature oxidation of steel were studied by a multiphase field model. The model incorporates both chemical and elastic energy to capture the coupled oxide kinetics and generated stresses. Oxidation of a flat surface and a sharp corner are considered at two high temperatures of 850 °C and 1180 °C to investigate the effects of geometry and temperature elevation on the shape evolution of oxides and the induced stresses. Results show that the model is capable of capturing the oxide thickness and its outward growth, comparable to the experiments. In addition, it was shown that there is an interaction between the evolution of oxide and the generated stresses, and the oxide layer evolves to reduce stress concentrations by rounding the sharp corners in the geometry. Increasing the temperature may increase or decrease the stress levels depending on the contribution of eigen strain in the generated elastic strain energy during oxidation.
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- Award ID(s):
- 1911280
- PAR ID:
- 10208339
- Date Published:
- Journal Name:
- Metals
- Volume:
- 10
- Issue:
- 6
- ISSN:
- 2075-4701
- Page Range / eLocation ID:
- 801
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.3390/met10060801
