About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
The Effect of Dislocation Networks on Interfacial Energies in Semiconductor Heterostructures |
| Author(s) |
Emir Bilgili, Nicholas Taormina, Yang Li, Adrian Diaz, Simon R. Phillpot, Youping Chen |
| On-Site Speaker (Planned) |
Emir Bilgili |
| Abstract Scope |
This work quantifies the effect of misfit and threading dislocations on the interfacial energies of PbTe-PbSe heterostructures, with dislocation structures obtained from atomistic and multiscale concurrent atomistic-continuum (CAC) simulations of (1) direct wafer bonding and (2) heteroepitaxial growth. The former produces 2D misfit dislocation networks while the latter produces complex 3D structures with both misfit and threading segments. Interfacial energies were determined by computing the interaction energies across interfaces. Compared to defect-free coherent interfaces, directly bonded interfaces exhibit up to 23% lower interfacial energy, while epitaxially grown interfaces show reductions up to ~52%. Our findings demonstrate and quantify the strong effect of misfit and threading dislocations on interfacial energy. Such effects can lead to different mechanistic or qualitative predictions about material behavior or phenomena such as growth mode. This work highlights that the manufacturing processes by which real interfaces are formed dictate their dislocation structure and resulting interfacial energies. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Thin Films and Interfaces, Modeling and Simulation, Mechanical Properties |