论文标题

范德华过渡金属Trihalides中的晶体结构演变

Crystal structure evolution in the van der Waals transition metal trihalides

论文作者

Kratochvilova, Marie, Dolezal, Petr, Hovancik, David, Pospisil, Jiri, Bendova, Anezka, Dusek, Michal, Holy, Vaclav, Sechovsky, Vladimir

论文摘要

大多数过渡金属三亚甲化体是二态的。基于铬的三合会,CRCL3,CRBR3,CRI3的特征是低温期采用了三角bii3类型,而高温相的结构是ALCL3类型的单斜型(C2/m)。两个晶体学阶段之间的结构过渡是一阶类型的,在CRCL3和CRI3中具有较大的热滞后。我们通过测量特定的热量,磁化和X射线衍射作为温度的功能并观察到的反向情况,研究了基于钒的对应物VCL3,VBR3和VI3的晶体结构和结构相变。在这些情况下,高温相具有较高的对称性,而低温结构则揭示了较低的对称性。与CRX3相比,它们之间的结构相变表现没有可测量的滞后。讨论了V和CR Trihalides中晶体结构类型的比率C/A演变的可能关系。

Most transition-metal trihalides are dimorphic. The representative chromium-based triad, CrCl3, CrBr3, CrI3, is characterized by the low-temperature phase adopting the trigonal BiI3 type while the structure of the high-temperature phase is monoclinic of AlCl3 type (C2/m). The structural transition between the two crystallographic phases is of the first-order type with large thermal hysteresis in CrCl3 and CrI3. We studied crystal structures and structural phase transitions of vanadium-based counterparts VCl3, VBr3, and VI3 by measuring specific heat, magnetization, and X-ray diffraction as functions of temperature and observed an inverse situation. In these cases, the high-temperature phase has a higher symmetry while the low-temperature structure reveals a lower symmetry. The structural phase transition between them shows no measurable hysteresis in contrast to CrX3. Possible relations of the evolution of the ratio c/a of the unit cell parameters, types of crystal structures, and nature of the structural transitions in V and Cr trihalides are discussed.

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