Construction of charge density analysis system for strong correlated electron materials using synchrotron radiation X-ray diffraction method

对于本项目启动的BL02B1单晶衍射仪，验证了该装置具有足够的性能。如果它是10微米立方体的合金系统晶体，在倒易晶格空间进行约0.2Å的超高分辨率测量是可能的，这是进行精确结构分析所必需的。冰箱的引进是通过与Spring-8设施合作实现的，可以测量从8K到500K的温度范围。在本研究项目中，完成了对分子导体体系和电荷或轨道有序态的一些典型的分子轨道分析。用这条束线还阐明了金属阳离子内面体富勒烯Li@C_&lt；60&gt；的结构和物理性质。

As for the new diffractometer for single crystals at BL02B1 in SPring-8 started up by this project, it was verified that there is an enough performance in this facility. If it is an alloy system crystal at ten-micron cubic, the ultra high resolution measurement of ca. 0.2 Å in the reciprocal lattice space necessary for the precise structure analysis is possible. The introduction of the refrigerators was achieved by cooperation with SPring-8 facilities, and the measurement in the temperature range from 8K to 500K became available. In this research project, some typical molecular orbital analyses of the molecular conductor system and the charge or orbital ordered state had been achieved. It was also elucidated by using this beam line of the structural and physical properties of a metallic cation endohedral fullerene Li@C_<60>.