Kiv, A.E.; Maksymova, T.I.; Moiseenko, N.V.; Soloviev, V.N.
(Semiconductor Physics Quantum Electronics & Optoelectronics, 2003)
Molecular Dynamics (MD) simulation of Si (001) surface layers was performed. In the modified algorithm of MD the potential is corrected on each step of calculation. The corrections account the re-hybridization of chemical ...