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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 15, Number 6
BKCSDE 15(6)
June 20, 1994 

Band Electronic Structure Study of Compound (ET)2ICl2 in Two Structural Modifications
Dae Bok Kang
The crystals of β-and β'-(ET)2ICl2 have a modified structure of organic superconductor β (ET)2I3. These salts possess strictly different physical properties : the β phase is a metal but the β' phase is a semiconductor. Our band electronic structure calculations show that the β phase is somewhat anisotropic 2D metal and the β' phase with the 1D character in electronic structure is magnetic insulating, in good agreement with experimental indications.
428 - 432
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