β Scribed by Antonova, I. V. ;Vasilev, A. V. ;Panov, V. I. ;Shaimeev, S. S.
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The influence of doping with acceptor atoms boron and aluminum and donor atoms nitrogen and phosphorus on silicon clusters as a model for semiconductors is investigated by semiempirical calculations with the MO method SINDO 1. The series XSi.,, XSi16, XS& and XSi3, is compared for X =Si, B, Al, N, P
Using full-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have investigated the effect of aluminum heteroatoms on the geometric structures and bond characteristics of Si n (n ΒΌ 5-10) clusters in detail. It is found that the geometric framework of the ground state structures for Si n (
The effect of the doping of silicon is studied with model clusters YSi4Xl2 and YSi34X36 for Y = Si, B, N, AI and P and pseudoatoms X which serve to saturate the structures. SINDO1 calculations are performed at the ROHF level. From the trend for the valence of the central atom Y for the cationic, neu