A. Gupta, R. Gross, et al.
SPIE Advances in Semiconductors and Superconductors 1990
We performed first principles calculations using the projector augmented wave method in order to get a clear description at a microscopic level of the electronic distribution far from the transition for TTF-2,5Cl2BQ. Our calculations predict for the first time a low-symmetry structure (ground state) of this compound. We relate them to a simple tight-binding scheme which allows us to discuss the pertinence of the one-dimensional models used to study the phase transitions in this class of materials. Copyright © 1998 Elsevier Science B.V.
A. Gupta, R. Gross, et al.
SPIE Advances in Semiconductors and Superconductors 1990
J. Tersoff
Applied Surface Science
Frank Stem
C R C Critical Reviews in Solid State Sciences
Kenneth R. Carter, Robert D. Miller, et al.
Macromolecules