论文部分内容阅读
A new electrical conductive crystal PyEt[Ni(dmit)2]2 (dmit=4,5-dimercapto-1,3-dithiole-2-thione) has been synthesized and its X-ray structure has been determined to be in monoclinic system, C2/c space group. In PyEt[Ni(dmit)2]2 crystal, the conducting component [Ni(dmit)2]0.5- is face-to-face packed forming molecular column along the c-direction, and these molecular columns are then side-by-side extended along the a-direction forming a kind of two-dimensional conducting sheet on (010). The measured conductivity at room temperature along a certain direction on (010) plane is 10 S .cm-1. From 282 to 269 K, the crystal shows metallic behavior but changes to semiconductor below 269 K. Based on the measured crystal structure and calculated band structure, this conductor-semiconductor phase transformation can be primarily interpreted: The metallic conductivity is corresponding to the uniform molecular column and the atomic-lattice-chain structure of Ni chain, while the semi-conductive behavior to staggered mo
A new electrical conductive crystal PyEt [Ni (dmit) 2] 2 (dmit = 4,5-dimercapto-1,3-dithiole-2-thione) has been synthesized and its X-ray structure has been determined to be in monoclinic system In PyEt [Ni (dmit) 2] 2 crystal, the conducting component [Ni (dmit) 2] 0.5- is face-to-face packed forming molecular column along the c-direction, and the molecular columns are then side-by-side extended along the a-direction forming a kind of two-dimensional conducting sheet on (010). The measured conductivity at room temperature along certain direction on (010) plane is 10 S .cm-1 . From 282 to 269 K, the crystal shows metallic behavior but changes to semiconductor below 269 K. Based on the measured crystal structure and calculated band structure, this conductor-semiconductor phase transformation can be be interpreted: The metallic conductivity is corresponding to the uniform molecular column and the atomic-lattice-chain structure of Ni chain, while the semi-conductive behavior or to staggered mo