First principles calculation of interfacial stability, energy, and elemental diffusional stability of Fe (111)/Al2O3 (0001) interface
First-principles calculation is widely used to study solid-solid interfaces, which provides insights into the atomic and electronic structure of an interface including the interfacial stability and adhesion strength. In general, the interface of the Fe/Al2O3 composite material is hardly wetted, and...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2019-12-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5123256 |