| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances and Discoveries in Non-equilibrium Driven Nanomaterials and Thin Films
|
| Presentation Title |
Effect of Interfacial Strain on the Point-defect Energetics in LaNiOx |
| Author(s) |
Kanishk Rawat, Dillon Fong, Dilpuneet S. Aidhy |
| On-Site Speaker (Planned) |
Dilpuneet S. Aidhy |
| Abstract Scope |
In this work, using density functional theory (DFT) calculations, we elucidate the effect of interfacial strain on the formation energy of oxygen vacancies in LaNiOx. Recent experiments show that LaNiO3 undergoes phase transformation to LaNiO2.5 via the creation of oxygen vacancies under varying oxygen partial pressure. We predict that the same phase transformation can be achieved via interfacial strain; this is due to the lowering of the oxygen vacancy formation energy in LaNiO3 under tensile strain. Using DFT calculations, we elucidate the thermodynamics and kinetics of phase transitions in LaNiOx phases which is induced via the ordering and disordering of the oxygen vacancies in LaNiOx. We compare the defect dynamics to the in-situ X-ray Photon Correlation Spectroscopy (XPCS) measurements that captures the dynamics of such structural phase transitions. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |