TY - JOUR
T1 - Spin and charge fluctuations near metal-insulator transition in dimer-type molecular solid
AU - Sato, Naomichi
AU - Watanabe, Tsutomu
AU - Naka, Makoto
AU - Ishihara, Sumio
N1 - Publisher Copyright:
© 2017 The Physical Society of Japan.
PY - 2017/5/15
Y1 - 2017/5/15
N2 - Spin and charge fluctuations in the vicinity of metal-to-Mott insulator transitions are studied in an organic solid with molecular dimers. The extended Hubbard model taking account of the internal electronic degree of freedom in a molecular dimer is analyzed by the variational Monte Carlo method. Three kinds of electronic phases, i.e., a metallic phase, an antiferromagnetic insulating phase, and a polar-charge ordered phase, compete with each other in the ground state. It is found that the polar-charge fluctuation is dominant in a wide range of molecular dimerization and Coulomb interaction amplitudes, and is markedly enhanced near the metal-insulator phase boundary, in which the spin fluctuation is almost unchanged. The implication for κ-type BEDT-TTF [bis(ehtylenedithio)-tetrathiafulvelene] salts is discussed.
AB - Spin and charge fluctuations in the vicinity of metal-to-Mott insulator transitions are studied in an organic solid with molecular dimers. The extended Hubbard model taking account of the internal electronic degree of freedom in a molecular dimer is analyzed by the variational Monte Carlo method. Three kinds of electronic phases, i.e., a metallic phase, an antiferromagnetic insulating phase, and a polar-charge ordered phase, compete with each other in the ground state. It is found that the polar-charge fluctuation is dominant in a wide range of molecular dimerization and Coulomb interaction amplitudes, and is markedly enhanced near the metal-insulator phase boundary, in which the spin fluctuation is almost unchanged. The implication for κ-type BEDT-TTF [bis(ehtylenedithio)-tetrathiafulvelene] salts is discussed.
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U2 - 10.7566/JPSJ.86.053701
DO - 10.7566/JPSJ.86.053701
M3 - Article
AN - SCOPUS:85019736763
VL - 86
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
SN - 0031-9015
IS - 5
M1 - 053701
ER -