Abstract
Ab initio molecular orbital (MO) and density functional theory (DFT) calculations of neutral and anion radical states of anthracene are performed to elucidate their vibrational frequencies. They are used to calculate the transition temperatures of superconductivity of these species in the field effect transistor (FET) configuration on the basis of the electron-phonon coupling mechanism. Anderson and Kondo lattice models are also examined in relation to possible electronic phases of segregated columns of donors or acceptors with radical groups, and conducting polymers with radical groups in the FET configuration. The effective exchange interactions within conduction electrons and localized spins are calculated by theoretical methods. The electron or hole doping into molecular crystals and/or thin films of these systems in the FET configuration are studied in relation to possible magnetic states, Kondo and dense Kondo states, and superconducting states via spin fluctuations. The cooperative mechanism between the electron-phonon and spin fluctuation is also discussed to search the high Tc superconductor. Finally, the magnetic modifications of helical conducting polymers and DNA chains with chiral spin sources are discussed in relation to possibility of molecular solenoid, which may be generated in the FET configuration.
| Original language | English |
|---|---|
| Pages (from-to) | 619-635 |
| Number of pages | 17 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 85 |
| Issue number | 4-5 |
| DOIs | |
| Publication status | Published - Nov 15 2001 |
| Externally published | Yes |
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Keywords
- DNA chain
- FET configuration
- Organic magnetic metals
- Organic solenoid
- Organic superconductors
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
Cite this
Possibilities of molecular magnetic metals and high Tc superconductors in field effect transistor configurations. / Kawakami, Takashi; Kitagawa, Yasutaka; Matsuoka, Fumitake; Yamashita, Yoshifumi; Isobe, Hiroshi; Nagao, Hidemi; Yamaguchi, Kizashi.
In: International Journal of Quantum Chemistry, Vol. 85, No. 4-5, 15.11.2001, p. 619-635.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Possibilities of molecular magnetic metals and high Tc superconductors in field effect transistor configurations
AU - Kawakami, Takashi
AU - Kitagawa, Yasutaka
AU - Matsuoka, Fumitake
AU - Yamashita, Yoshifumi
AU - Isobe, Hiroshi
AU - Nagao, Hidemi
AU - Yamaguchi, Kizashi
PY - 2001/11/15
Y1 - 2001/11/15
N2 - Ab initio molecular orbital (MO) and density functional theory (DFT) calculations of neutral and anion radical states of anthracene are performed to elucidate their vibrational frequencies. They are used to calculate the transition temperatures of superconductivity of these species in the field effect transistor (FET) configuration on the basis of the electron-phonon coupling mechanism. Anderson and Kondo lattice models are also examined in relation to possible electronic phases of segregated columns of donors or acceptors with radical groups, and conducting polymers with radical groups in the FET configuration. The effective exchange interactions within conduction electrons and localized spins are calculated by theoretical methods. The electron or hole doping into molecular crystals and/or thin films of these systems in the FET configuration are studied in relation to possible magnetic states, Kondo and dense Kondo states, and superconducting states via spin fluctuations. The cooperative mechanism between the electron-phonon and spin fluctuation is also discussed to search the high Tc superconductor. Finally, the magnetic modifications of helical conducting polymers and DNA chains with chiral spin sources are discussed in relation to possibility of molecular solenoid, which may be generated in the FET configuration.
AB - Ab initio molecular orbital (MO) and density functional theory (DFT) calculations of neutral and anion radical states of anthracene are performed to elucidate their vibrational frequencies. They are used to calculate the transition temperatures of superconductivity of these species in the field effect transistor (FET) configuration on the basis of the electron-phonon coupling mechanism. Anderson and Kondo lattice models are also examined in relation to possible electronic phases of segregated columns of donors or acceptors with radical groups, and conducting polymers with radical groups in the FET configuration. The effective exchange interactions within conduction electrons and localized spins are calculated by theoretical methods. The electron or hole doping into molecular crystals and/or thin films of these systems in the FET configuration are studied in relation to possible magnetic states, Kondo and dense Kondo states, and superconducting states via spin fluctuations. The cooperative mechanism between the electron-phonon and spin fluctuation is also discussed to search the high Tc superconductor. Finally, the magnetic modifications of helical conducting polymers and DNA chains with chiral spin sources are discussed in relation to possibility of molecular solenoid, which may be generated in the FET configuration.
KW - DNA chain
KW - FET configuration
KW - Organic magnetic metals
KW - Organic solenoid
KW - Organic superconductors
UR - http://www.scopus.com/inward/record.url?scp=0035890526&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035890526&partnerID=8YFLogxK
U2 - 10.1002/qua.1506
DO - 10.1002/qua.1506
M3 - Article
AN - SCOPUS:0035890526
VL - 85
SP - 619
EP - 635
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
SN - 0020-7608
IS - 4-5
ER -