Crystal and electronic structures of (BEDT-TTF)2(MHg(SCN)4)(M=K and NH4).
Crystal and electronic structures of (BEDT-TTF)2(MHg(SCN)4)(M=K and NH4).
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(BEDT-TTF)2(MHg(SCN)4)(M=K 和 NH4) 的晶体和电子结构。
DOI：
10.1246/bcsj.63.2183
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发表时间：
1990
影响因子：
4
通讯作者：
H. Inokuchi
中科院分区：
文献类型：
--
作者：
H. Mori;Shōji Tanaka;M. Oshima;G. Saito;Takehiko Mori;Y. Maruyama;H. Inokuchi
用X射线衍射法测定了（BEDT-TTF）2[MHg（SCN）4]（M=K，298 K和104 K; M= NH 4）的晶体结构。供体层和阴离子片沿b轴沿着交替堆叠。供体的堆积模式接近于α相，而阴离子片层构成了一个平行于（010）的厚的二维聚合物平面。的链接（注：图形省略。）(or NH 4）（注：省略图示。）是非常独特的。能带结构计算表明，既有封闭的费米面，也有开放的费米面，类似于κ-（BEDT-TTF）2[Cu（NCS）2]。
The crystal structures of (BEDT–TTF)2[MHg(SCN)4] (M=K at 298 and 104 K and M=NH4 at 298 K) were determined by X-ray analyses. A donor layer and an anion sheet stack alternately along the b-axis. The packing pattern of the donor is close to α-phase, while an anion sheet constructs a thick two-dimensional polymer plane parallel to (010). The linkage of (Remark: Graphics omitted.) (or NH4) (Remark: Graphics omitted.) in an anion sheet is very unique. The band structure calculation indicates both a closed and an open Fermi surfaces, resembling that of κ-(BEDT–TTF)2[Cu(NCS)2].