A. Ney, R. Rajaram, et al.
Journal of Magnetism and Magnetic Materials
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. Ney, R. Rajaram, et al.
Journal of Magnetism and Magnetic Materials
A. Reisman, M. Berkenblit, et al.
JES
K.N. Tu
Materials Science and Engineering: A
A. Krol, C.J. Sher, et al.
Surface Science