Abstract
θ-(BEDT-TTF)2RbZn(SCN)4 is a two-dimensional organic conductor exhibiting a metal-insulator transition at TMI = 200 K. This insulating charge ordered state below TMI was investigated by a single crystal structural analysis taking account of the superlattice formation below TMI. A large displacement (about 0.2 Å) of BEDT-TTF molecules associated with the transition was found. Transfer integrals between BEDT-TTF molecules were also calculated from the structural data. The two-dimensional net of transfer integrals above T MI was modulated into the quasi one-dimensional transfer integral chain by the superlattice formation below TMI. The ionicities of BEDT-TTF molecules are estimated from the intramolecular bond length distribution. As a result, charge disproportionation between BEDT-TTF molecules was found, and the ionicity was 0 to -1-0.2 and +0.8 to +1.0 respectively. The hole-rich sites are laid on the quasi one-dimensional transfer integral chain. We conclude that the spatial pattern of charge ordering is a stripe alternating along the c-axis.
| Original language | English |
|---|---|
| Pages (from-to) | 116-122 |
| Number of pages | 7 |
| Journal | Journal of the Physical Society of Japan |
| Volume | 73 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - Jan 2004 |
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Keywords
- BEDT-TTF
- Charge ordering
- Crystal structure
- Metal-insulator transition
- Organic conductor
ASJC Scopus subject areas
- Physics and Astronomy(all)
Cite this
Transfer integrals and the spatial pattern of charge ordering in θ-(BEDT-TTF)2RbZn(SCN)4 at 90 K. / Watanabe, Masashi; Noda, Yukio; Nogami, Yoshio; Mori, Hatsumi.
In: Journal of the Physical Society of Japan, Vol. 73, No. 1, 01.2004, p. 116-122.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Transfer integrals and the spatial pattern of charge ordering in θ-(BEDT-TTF)2RbZn(SCN)4 at 90 K
AU - Watanabe, Masashi
AU - Noda, Yukio
AU - Nogami, Yoshio
AU - Mori, Hatsumi
PY - 2004/1
Y1 - 2004/1
N2 - θ-(BEDT-TTF)2RbZn(SCN)4 is a two-dimensional organic conductor exhibiting a metal-insulator transition at TMI = 200 K. This insulating charge ordered state below TMI was investigated by a single crystal structural analysis taking account of the superlattice formation below TMI. A large displacement (about 0.2 Å) of BEDT-TTF molecules associated with the transition was found. Transfer integrals between BEDT-TTF molecules were also calculated from the structural data. The two-dimensional net of transfer integrals above T MI was modulated into the quasi one-dimensional transfer integral chain by the superlattice formation below TMI. The ionicities of BEDT-TTF molecules are estimated from the intramolecular bond length distribution. As a result, charge disproportionation between BEDT-TTF molecules was found, and the ionicity was 0 to -1-0.2 and +0.8 to +1.0 respectively. The hole-rich sites are laid on the quasi one-dimensional transfer integral chain. We conclude that the spatial pattern of charge ordering is a stripe alternating along the c-axis.
AB - θ-(BEDT-TTF)2RbZn(SCN)4 is a two-dimensional organic conductor exhibiting a metal-insulator transition at TMI = 200 K. This insulating charge ordered state below TMI was investigated by a single crystal structural analysis taking account of the superlattice formation below TMI. A large displacement (about 0.2 Å) of BEDT-TTF molecules associated with the transition was found. Transfer integrals between BEDT-TTF molecules were also calculated from the structural data. The two-dimensional net of transfer integrals above T MI was modulated into the quasi one-dimensional transfer integral chain by the superlattice formation below TMI. The ionicities of BEDT-TTF molecules are estimated from the intramolecular bond length distribution. As a result, charge disproportionation between BEDT-TTF molecules was found, and the ionicity was 0 to -1-0.2 and +0.8 to +1.0 respectively. The hole-rich sites are laid on the quasi one-dimensional transfer integral chain. We conclude that the spatial pattern of charge ordering is a stripe alternating along the c-axis.
KW - BEDT-TTF
KW - Charge ordering
KW - Crystal structure
KW - Metal-insulator transition
KW - Organic conductor
UR - http://www.scopus.com/inward/record.url?scp=21144457459&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=21144457459&partnerID=8YFLogxK
U2 - 10.1143/JPSJ.73.116
DO - 10.1143/JPSJ.73.116
M3 - Article
AN - SCOPUS:21144457459
VL - 73
SP - 116
EP - 122
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
SN - 0031-9015
IS - 1
ER -