T. Kawakami et al., Possibilities of molecular magnetic metals and high T-c superconductors infield effect transistor configurations, INT J QUANT, 85(4-5), 2001, pp. 619-635
Ab initio molecular orbital (MO) and density functional theory (DFT) calcul
ations of neutral and anion radical states of anthracene are performed to e
lucidate their vibrational frequencies. They are used to calculate the tran
sition temperatures of superconductivity of these species in the field effe
ct transistor (FET) configuration on the basis of the electron-phonon coupl
ing mechanism. Anderson and Kondo lattice models are also examined in relat
ion to possible electronic phases of segregated columns of donors or accept
ors with radical groups, and conducting polymers with radical groups in the
FET configuration. The effective exchange interactions within conduction e
lectrons and localized spins are calculated by theoretical methods. The ele
ctron or hole doping into molecular crystals and/or thin films of these sys
tems in the FET configuration are studied in relation to possible magnetic
states, Kondo and dense Kondo states, and superconducting states via spin f
luctuations. The cooperative mechanism between the electron-phonon and spin
fluctuation is also discussed to search the high Tc superconductor. Finall
y, the magnetic modifications of helical conducting polymers and DNA chains
with chiral spin sources are discussed in relation to possibility of molec
ular solenoid, which may be generated in the FET configuration. (C) 2001 Jo
hn Wiley & Sons, Inc.