A restricted Hartree-Fock study of the posible structural modifications of an infinite model chain under the effect of doping is presented It is shown that the tendency to bond alternation decreases with dopina and that there exists an optimal dopant concentration at which almost regular electron distribution is attained and the electrical energy gap is minimized.
|Original language||English (US)|
|Number of pages||5|
|Journal||Chemical Physics Letters|
|State||Published - Feb 15 1981|
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry