1ST-PRINCIPLES SIMULATION OF COLLISION CASCADES IN SI TO TEST PAIR-POTENTIALS FOR SI-SI INTERACTION AT 10 EV-5 KEV

Interatomic potentials for Si-Si interaction are tested at energies of 10 eV-5 keV for Si ions in ion-beam amorphized Si by simulating range distribution data with the molecular dynamics method. The range profi le of 1 x 10(16) 10 keV Si-30+ cm-2 implanted into originally crystall ine silicon was measured using a nuclear reaction technique. An intera tomic repulsive potential from first-principles calculations is propos ed for the Si-Si interaction. The dependence of the number of vacancie s produced in low-energy collision cascades on the potential is demons trated by simulations of the cascade dynamics.