Description
Data and code accompanying the following publication:
Sharad Mahatara and Stephan Lany, "Heterostructural interface engineering for ultrawide gap nitrides from first principles: TaC/AlN and TaC/GaN rocksalt-wurtzite interfaces," Physical Review Applied 22, 054044 (2024). https://doi.org/10.1103/PhysRevApplied.22.054044
Resources
| Name | Format | Description | Link |
|---|---|---|---|
| Computer code for sampling stacking sequences at the rocksalt (111) - wurtzite (0001) interface | Binary | Computer code for sampling stacking sequences at the rocksalt (111) - wurtzite (0001) interface | Open resource |
| Atomic structure files for the initial and the final (DFT relaxed) structures for the TaC/AlN and TaC/GaN interfaces | Binary | Atomic structure files for the initial and the final (DFT relaxed) structures for the TaC/AlN and TaC/GaN interfaces | Open resource |
| Datasheet for the total film sheet energies of the TaC-AlN structures | Binary | Datasheet for the total film sheet energies of the TaC-AlN structures | Open resource |
| Datasheet for the total film sheet energies of the TaC-GaN structures | Binary | Datasheet for the total film sheet energies of the TaC-GaN structures | Open resource |