화학공학소재연구정보센터
Chemical Physics Letters, Vol.444, No.1-3, 44-47, 2007
Cluster size effect on the electric polarizability and hyperpolarizability in small antimony clusters Sb-n, n=1, 2 and 4
We have obtained static polarizabilities and hyperpolarizabilities for small antimony clusters Sb-n, n = 1, 2 and 4, relying on high-level conventional ab initio and density-functional theory calculations with purpose-oriented basis sets. Our best values for the mean dipole polarizability and second dipole hyperpolarizability are (alpha) over bar /e(2) a(0)(2) E-h(-1) = 42.55(Sb), 93.67 (Sb-2) and 206.09 (Sb-4) and 10(-3)(gamma) over tilde /e(4)a(0)(4)E(h)(-3) = 11.4(Sb), 35.0 (Sb-2) and 120.5 (Sb-4). Our results show that, for both properties, the mean value per-atom increases with cluster size. (c) 2007 Elsevier B.V. All rights reserved.