Institution: | * Dept. of Physics, Università di Roma “Tor Vergata”, 00173, Rome, Italy ** Institute of Semiconductors, 252028 Kiev-28, Prospekt Nauki, 45, Ukraine *** Centre Européen de Calcule Atomique Moléculaire (CECAM) Université de Paris-Sud, F91405, Orsay, France |
Abstract: | The recent application to the semiconductor surfaces of the powerful ab-initio molecular dynamics (Car-Parrinello) method R. Car, M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985)] will be reviewed. The essential features of the method will be addressed first, then we will review a number of recent studies on the properties of the clean and adsorbate covered surfaces of Si, Ge and GaAs, obtained through Car-Parrinello simulations. Finally an original application of the ab-initio molecular dynamics for the clean and hydrogenated GaAs(110) surfaces is presented. |