Electronic transfer integrals (t) and TMTTF molecular ionicities (ρ) in several Fabre salts were estimated using the atomic coordinates obtained by systematic X-ray structure analyses at room and low temperatures. Among these Fabre salts containing the octahedral anions, (TMTTF)2PF6 has the largest degree of 4kF bond dimerization in t, (TMTTF)2AsF6 does the middle and (TMTTF)2SbF6 has the smallest. This tendency corresponds well to the degree of 2kF spin-Peierls instability at low temperatures which has been estimated. However opposite tendency was observed between the magnitude of the 4kF bond dimerization and the reported critical temperature of the charge disproportionation. The charge modulation patterns and the transfer integral modulation patterns of two salts containing non centrosymmetric anions, (TMTTF)2ReO4 and (TMTTF)2SCN were compared.
|Journal||Journal De Physique. IV : JP|
|Publication status||Published - Nov 1 2002|
|Event||International Workshop on Electronic Crystals - ECRYS 2002 - Saint Flour, France|
Duration: Sep 2 2002 → Sep 7 2002
ASJC Scopus subject areas
- Physics and Astronomy(all)