Discovering Amorphous Indium Phosphide Nanostructures with High-Temperature ab Initio Molecular Dynamics
We employ high-temperature ab initio molecular dynamics (AIMD) as a sampling approach to discover low-energy, semiconducting, indium phosphide nanostructures. Starting from under-coordinated models of InP (e.g. a single layer of InP(111)), rapid rearrangement into a stabilized, higher-coordinate but...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Chemical Society (ACS)
2016
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| Online Access: | http://hdl.handle.net/1721.1/105155 https://orcid.org/0000-0002-5535-0513 https://orcid.org/0000-0003-4032-8038 https://orcid.org/0000-0001-9342-0191 |