Effects of attractive potential between ultra-low energy boron and silicons and boron diffusion in the beginning of annealing: Molecular dynamics study

We have investigated effects of attractive potential between ultra-low ener gy boron and silicons using molecular dynamics simulation. For B-Si, we use the Stillinger-Weber (SW)-type interatomic potential. For strong repulsive interaction at short interatomic distance, we use the Ziegler, Biersack, a nd Littmark (ZBL) potential with the repulsive part of the term being splin ed to SW-type B-Si potential. Molecular dynamics simulation using proposed potential revealed more scattering angles than that using ZBL, since collis ion time using proposed potential was longer than that using ZBL. Because t hin films by low energy ion beams have been important to fabricate gigantic -scale-integragted (GSI) devices, molecular dynamics study about ion beam p rocesses should include attractive potential. At 1000 K similar to 1300 K, calculated diffusivities nearly were 10(-7) cm(2)/s and Arrhenius relations hip with temperature. In the beginning of annealing, boron diffusivities we re very high, since the damages formed by ion implant were rapidly dissolve d, many Si interstitials are generated, and borons are swiftly diffused.