Dipanjan Gope, Albert E. Ruehli, et al.
IEEE T-MTT
We present the first ab-initio calculation of one-dimensional band structures of two mixed-stack tetrathiafulvalene-p-benzoquinones derivatives: TTF-CA and TTF-2,5Cl2BQ. We discuss the intra-chain coupling and derive hopping parameters to be used in model calculations. Our calculations reveal that the dispersion differs qualitatively from existing model calculations. Implications of our findings on the relation between symmetry breaking and intermolecular charge transfer are discussed. © 1997 Elsevier Science Ltd.
Dipanjan Gope, Albert E. Ruehli, et al.
IEEE T-MTT
Ellen J. Yoffa, David Adler
Physical Review B
Shaoning Yao, Wei-Tsu Tseng, et al.
ADMETA 2011
P. Martensson, R.M. Feenstra
Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films