(2005). Density Functional Theory Calculation of the Electronic Structure for C20 Cage Fullerene. , 1(0), 103-108.
. "Density Functional Theory Calculation of the Electronic Structure for C20 Cage Fullerene". , 1, 0, 2005, 103-108.
(2005). 'Density Functional Theory Calculation of the Electronic Structure for C20 Cage Fullerene', , 1(0), pp. 103-108.
Density Functional Theory Calculation of the Electronic Structure for C20 Cage Fullerene. , 2005; 1(0): 103-108.

Density Functional Theory Calculation of the Electronic Structure for C20 Cage Fullerene

journal of kerbala university
Article 1, Volume 1, Issue 0, 2005, Pages 103-108    PDF (0 K)
Abstract
In this work, the electronic structure of C20 cage fullerene is studied theoretically under the effect of electric field using B3LYP density functional theory with 6-31G** basis sets. Varying strength of electric field (week and strong) was applied to the structure. Valence band, conduction band and energy gap were calculated and analyzed. The electronic transition spectra of C20 are calculated under strong electric field.
Statistics
Article View: 68
PDF Download: 57


Journal Management System. Powered by iJournalPro.com