TY - JOUR
T1 - Intradimer charge disproportionation in triclinic-EtMe3P[Pd(dmit) 2]2 (dmit: 1,3-Dithiole-2-thione-4,5-dithiolate)
AU - Yamamoto, Takashi
AU - Nakazawa, Yasuhiro
AU - Tamura, Masafumi
AU - Nakao, Akiko
AU - Ikemoto, Yuka
AU - Moriwaki, Taro
AU - Fukaya, Atsuko
AU - Kato, Reizo
AU - Yakushi, Kyuya
PY - 2011/12
Y1 - 2011/12
N2 - Molecular conductors consisting of ''tight dimers'' with short intermolecular distances have been studied from the viewpoint of the 1/2-filled picture. Triclinic-EtMe3P[Pd(dmit)2]2 [dmit = 1,3-dithiole-2-thione-4,5-dithiolate] exhibits the intradimer charge ordered state CO(intra) below 50K and charge fluctuation above 50 K. In both CO(intra) and fluctuated states, the intradimer Coulomb repulsion Vd, the interdimer Coulomb repulsions Vi, and the valence bond ordering cooperate with one another, which is characteristic of highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) inversion system. This observation is evidence of the localization due to the 1/4-filled picture. This result prompts us to construct a unified physical model applicable to a wide range of molecular conductors composed of not only tight dimers but also nontight dimers.
AB - Molecular conductors consisting of ''tight dimers'' with short intermolecular distances have been studied from the viewpoint of the 1/2-filled picture. Triclinic-EtMe3P[Pd(dmit)2]2 [dmit = 1,3-dithiole-2-thione-4,5-dithiolate] exhibits the intradimer charge ordered state CO(intra) below 50K and charge fluctuation above 50 K. In both CO(intra) and fluctuated states, the intradimer Coulomb repulsion Vd, the interdimer Coulomb repulsions Vi, and the valence bond ordering cooperate with one another, which is characteristic of highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) inversion system. This observation is evidence of the localization due to the 1/4-filled picture. This result prompts us to construct a unified physical model applicable to a wide range of molecular conductors composed of not only tight dimers but also nontight dimers.
KW - Charge and lattice fluctuation
KW - HOMO-LUMO inversion
KW - Inter-site Coulomb repulsions
KW - Intradimer charge ordering
KW - Valence bond ordering
KW - Vibrational spectroscopy
KW - [Pd(dmit)] salt
UR - http://www.scopus.com/inward/record.url?scp=82955198604&partnerID=8YFLogxK
U2 - 10.1143/JPSJ.80.123709
DO - 10.1143/JPSJ.80.123709
M3 - Article
AN - SCOPUS:82955198604
SN - 0031-9015
VL - 80
JO - journal of the physical society of japan
JF - journal of the physical society of japan
IS - 12
M1 - 123709
ER -