NDLI: A molecular dynamics simulation study of the superionic conductor lithium nitride. I

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A molecular dynamics simulation study of the superionic conductor lithium nitride. I

Content Provider	Scilit
Author	Wolf, M. L. Walker, J. R. Catlow, C. R. A.
Copyright Year	1984
Description	Journal: Journal of Physics C: Solid State Physics The authors have performed a molecular dynamics simulation of the superionic conductor $Li_{3}$N at 300K and 400K in order to characterise its structure and transport mechanisms. The distinct Li(1) and Li(2) sublattices are observed experimentally to give complicated temperature-dependent anisotropic mobilities. These have been completely reproduced by the simulation at a qualitative level, although simulated transport coefficients are too high. The defect structure is found to consist of low levels of Frenkel disorder on the Li(2) sublattice and at the higher temperature interstitials are identified in the interplanar region. In accord with observation, Li(2) ions are found to have a remarkable degree of site-localisation.
Related Links	http://iopscience.iop.org/article/10.1088/0022-3719/17/36/017/pdf
Ending Page	6634
Page Count	12
Starting Page	6623
ISSN	00223719
DOI	10.1088/0022-3719/17/36/017
Journal	Journal of Physics C: Solid State Physics
Issue Number	36
Volume Number	17
Language	English
Publisher	IOP Publishing
Publisher Date	1984-12-30
Access Restriction	Open
Subject Keyword	Journal: Journal of Physics C: Solid State Physics Condensed Matter Physics Molecular Dynamics Simulation Conductor Lithium Superionic Conductor Lithium Nitride
Content Type	Text
Resource Type	Article
Subject	Physics and Astronomy Condensed Matter Physics Engineering

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