Calles, AG; Valladares, A; Valladares, AA; Valladares, RM
(2000)
We simulate a - Si21-iNi : H that contains 6-atom boat-type rings and a - Si17-iNi : H that contains 5-atom planar rings, where i = 0, 1 or 4. The simulations were carried out using the DFT-LDA approximation contained in ...