A Stillinger-Weber Potential for InGaN
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Reducing defects in InGaN films deposited on GaN substrates has been critical to fill the “green” gap for solid-state lighting applications. To enable researchers to use molecular dynamics vapor deposition simulations to explores ways to reduce defects in InGaN films, we have developed and characterized a Stillinger-Weber potential for InGaN. We show that this potential reproduces the experimental atomic volume, cohesive energy, and bulk modulus of the equilibrium wurtzite / zinc-blende phases of both InN and GaN. Most importantly, the potential captures the stability of the correct phase of InGaN compounds against a variety of other elemental, alloy, and compound configurations. Lastly, this is validated by the potential’s ability to predict crystalline growth of stoichiometric wurtzite and zinc-blende InxGa1-xN compounds during vapor deposition simulations where adatoms are randomly injected to the growth surface.
- Research Organization:
- Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE)
- Grant/Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1398782
- Report Number(s):
- SAND--2017-9967J; 657013
- Journal Information:
- Journal of Materials Science Research, Journal Name: Journal of Materials Science Research Journal Issue: 4 Vol. 6; ISSN 1927-0585
- Publisher:
- Canadian Center of Science and EducationCopyright Statement
- Country of Publication:
- United States
- Language:
- English
On the piezotronic behaviours of wurtzite core–shell nanowires
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journal | December 2019 |
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