Molecular dynamics simulations of bulk displacement threshold energies in Si
- 1 June 1994
- journal article
- research article
- Published by Taylor & Francis in Radiation Effects and Defects in Solids
- Vol. 129 (1-2) , 127-131
- https://doi.org/10.1080/10420159408228889
Abstract
Molecular dynamics (MD) calculations of the bulk threshold displacement energies in single crystal silicon are carried out using the Tersoff potential. The threshold values are angularly dependent and typically vary from 10 to 20 eV for initial primary recoil momentum vectors near open directions in the lattice. An analytic representation of the angular dependence of the threshold values about the 〈1 0 0〉 and 〈1 1 1〉 is developed to facilitate comparison with experiment.Keywords
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