We report on the use of the Tersoff empirical potential applied to GaAs. Cohesive and elastic properties, as well as phonon frequencies and Grüneisen parameters at the Γ and X points, are calculated and compared to experimental data. The limitations of the potential and its existing parametrisations are discussed. © 2006 Elsevier B.V. All rights reserved.
|Number of pages||2|
|Journal||Physica E: Low-Dimensional Systems and Nanostructures|
|Publication status||Published - May 2006|
- Tersoff potential