Ammonium Azide Under Hydrostatic Compression

Authors

A. C. Landerville, University of South FloridaFollow
B. A. Steele, University of South Florida
Ivan I. Oleynik, University of South FloridaFollow

Document Type

Article

Publication Date

2014

Digital Object Identifier (DOI)

http://dx.doi.org/10.1088/1742-6596/500/16/162006

Abstract

The properties of ammonium azide NH₄N₃ upon compression were investigated using first-principles density functional theory. The equation of state was calculated and the mechanism of a phase transition experimentally observed at 3.3 GPa is elucidated. Novel polymorphs of NH₄N₃ were found using a simple structure search algorithm employing random atomic displacements upon static compression. The structures of three new polymorphs, labelled as B, C, and D, are similar to those of other metal azides.

Rights Information

This work is licensed under a Creative Commons Attribution 3.0 License.

Citation / Publisher Attribution

Journal of Physics: Conference Series, v. 500, art. 162006

Scholar Commons Citation

Landerville, A. C.; Steele, B. A.; and Oleynik, Ivan I., "Ammonium Azide Under Hydrostatic Compression" (2014). Physics Faculty Publications. 5.
https://digitalcommons.usf.edu/phy_facpub/5