Isothermal compressibility and pressure dependence of the crystal structures of the superconducting charge-transfer salt κ-(BEDT-TTF)2Cu(NCS)2 [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene]
Isothermal compressibility and pressure dependence of the crystal structures of the superconducting charge-transfer salt κ-(BEDT-TTF)2Cu(NCS)2 [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene]
复制标题
超导电荷转移盐 κ-(BEDT-TTF)2Cu(NCS)2 [BEDT-TTF = 双(乙撑二硫)四硫富瓦烯]晶体结构的等温压缩性和压力依赖性
DOI：
--
复制
发表时间：
1997
期刊：
影响因子：
--
通讯作者：
P. Day
中科院分区：
文献类型：
--
作者：
M. Rahal;D. Chasseau;J. Gaultier;L. Ducasse;M. Kurmoo;P. Day
根据室温下单晶X射线衍射测量的晶格参数的压力依赖性，确定了K-(BEDT-TTF) 2 Cu(NCS) 2、双(乙烯-二硫代)四硫富瓦烯二硫氰酸铜的等温压缩张量的主成分的振幅和方向，从1 x 10 5 Pa到 12.9×10 5 kPa。晶体结构已在1 x 10 5 Pa和7.5 x 10 5 kPa下测定。根据后者，计算了分子间电子转移积分和能带结构的压力依赖性，并与 1 x 10 5 Pa 和 15 K 下的压力依赖性进行了比较。
From the pressure dependence of the lattice parameters measured by single-crystal X-ray diffraction at room temperature, the amplitudes and directions of the principal components of the isothermal compressibility tensor of K-(BEDT-TTF) 2 Cu(NCS) 2 , bis(ethylene-dithio)tetrathiafulvalene copper dithiocyanate, have been determined from 1 x 10 5 Pa to 12.9 x 10 5 kPa. The crystal structure has been determined at 1 x 10 5 Pa and 7.5 x 10 5 kPa. From the latter, the pressure dependence of the intermolecular electron-transfer integrals and the band structure have been calculated and compared with those at 1 x 10 5 Pa and 15 K.