BAND STRUCTURES OF TWO TYPES OF (BEDT-TTF)2I3

BAND STRUCTURES OF TWO TYPES OF (BEDT-TTF)2I3
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两种(BEDT-TTF)2I3的能带结构

DOI：
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发表时间：
1984
期刊：
影响因子：
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通讯作者：
H. Inokuchi
H. Inokuchi
中科院分区：
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文献类型：
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作者：
Takehiko Mori;A. Kobayashi;Y. Sasaki;H. Kobayashi;G. Saito;H. Inokuchi

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在扩展的Huckel分子轨道计算的基础上，计算了Bender等人报道的α-（BEDT-TTF）_2I_3的分子间最高占据轨道重叠，Yagubskii等报道的β-（BEDT-TTF）_2I_3超导体（BEDT-TTF：bis（ethylenedithio）tetrathiafulvalene）。α-（BEDT-TTF）2 I3是一种二维半金属或窄禁带半导体。β-（BEDT-TTF）_2I_3是一种具有几乎各向同性闭合费米面的二维金属。
On the basis of the extended Huckel molecular orbital calculation, the intermolecular overlaps of the highest occupied molecular orbitals are calculated for α-(BEDT-TTF)2I3 reported by Bender et al., and for superconducting β-(BEDT-TTF)2I3 reported by Yagubskii et al. (BEDT-TTF: bis(ethylenedithio)tetrathiafulvalene). α-(BEDT-TTF)2I3 is a two-dimensional semimetal or a narrow gap semiconductor. β-(BEDT-TTF)2I3 is a two-dimensional metal which has an almost isotropic closed Fermi surface.