Structural and Thermal Properties of Indium Phosphide Nanoparticles: Molecular Dynamics Simulations

Date

2015-09-01

Author

Nayir, Nadire
Tasci, Emre S.
Erkoç, Şakir

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Structural and thermal properties of Indium Phosphide spherical nanoparticles at various sizes have been investigated via classical molecular dynamics simulations using an atomistic potential energy function. The initial configurations of the nanoparticles were chosen as spheres generated from the zinc blende crystalline structure. To investigate the relation between the size and the heat capacity, the simulations were realized at temperatures in the range of 1-1300 K under both equilibrium and non-equilibrated criteria. Structural phase transition from zinc blende to rock salt phase has been observed.

URI

https://hdl.handle.net/11511/57644

Journal

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE

DOI

https://doi.org/10.1166/jctn.2015.4000

Collections

Department of Physics, Article

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Citation Formats

N. Nayir, E. S. Tasci, and Ş. Erkoç, “Structural and Thermal Properties of Indium Phosphide Nanoparticles: Molecular Dynamics Simulations,” JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, pp. 2134–2139, 2015, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57644.