The optical properties of (C59N)(2)

Citation
Xg. Wan et al., The optical properties of (C59N)(2), COMM TH PHY, 32(4), 1999, pp. 515-520
Citations number
29
Categorie Soggetti
Physics
Journal title
COMMUNICATIONS IN THEORETICAL PHYSICS
ISSN journal
02536102 → ACNP
Volume
32
Issue
4
Year of publication
1999
Pages
515 - 520
Database
ISI
SICI code
0253-6102(199912)32:4<515:TOPO(>2.0.ZU;2-A
Abstract
Using the extended Hubbard model and sum-over-state method, we have calcula ted the linear polarizability alpha and the third-order nonlinear polarizab ility gamma for (C59N)(2). we find that (C59N)(2) has very big gamma value (around 10(-32) esu), and its alpha and gamma values are bigger than those of C59N. In particular, when 1.2 eV less than or equal to 3 omega, (C59N)(2 ) has much larger gamma values than C59N.