Temperature dependence of the transfer integrals in the (TMTSF)2X and (TMTTF)2X families
Temperature dependence of the transfer integrals in the (TMTSF)2X and (TMTTF)2X families
复制标题
(TMTSF)2X 和 (TMTTF)2X 系列中传递积分的温度依赖性
DOI：
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发表时间：
1986
期刊：
影响因子：
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通讯作者：
J. Gaultier
中科院分区：
文献类型：
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作者：
L. Ducasse;M. Abderrabba;J. Hoarau;M. Pesquer;B. Gallois;J. Gaultier
作者利用（TMTSF）2X和（TMTTF）2X家族的一些代表性化合物最近确定的低温和/或高压晶体结构，评估了邻近阳离子分子之间紧密结合转移积分的温度依赖性。横向积分从新结构到环境温度和压力结构的变化最大的是那些表现出反键特征的积分，而不是堆内相互作用。这些变化导致了与众所周知的高温描述明显不同的低温电子图像。大气压超导体（TMTSF）2ClO4的横向成键和反键相互作用趋于均衡。结果表明，在温度为T1时，（TMTTF）2Br的结构与（TMTTF） 2X在T=T1或（TMTTF）2PF6在T=T1+300K时的横向传递积分值相当。
The authors have evaluated the temperature dependence of the tight-binding transfer integral between neighbouring cation molecules for some representative compounds of the (TMTSF)2X and (TMTTF)2X families using their recently determined low-temperature and/or high-pressure crystallographic structures. The changes in the transverse integrals in going from the new structures to the ambient temperature and pressure structures are largest for those integrals which show an antibonding character compared to the intrastack interaction. These changes lead to a low-temperature electronic picture which differs markedly from the well known high-temperature description. The transverse bonding and antibonding interactions tend to equalise for the atmospheric pressure supraconductor (TMTSF)2ClO4. The results suggest that the structure of the most metallic TMTTF salt, (TMTTF)2Br, is equivalent at a temperature T1 to the structure of (TMTSF)2X at T=T1 or (TMTTF)2PF6 at T=T1+300K with regard to the values of the transverse transfer integrals.