铁磁Hollandite K2Cr8O16金属-绝缘体转变的Peierls机制
Peierls Mechanism of the Metal-Insulator Transition in Ferromagnetic Hollandite K2Cr8O16
摘要：
同步辐射X射线衍射实验表明，在铁磁状态下发生的金属-绝缘体转变伴随着从四元$_2$到单斜$_{16}$相的结构畸变，并伴随着$\sqrt{2}\times\sqrt{2}\times 1$超晶胞.详细的电子结构计算表明，金属-绝缘体转变是由Peierls不稳定性的准一维柱结构中的四个耦合的Cr-O链运行在$c$ -方向，导致形成四聚体的Cr离子低于转变温度。这是一个罕见的例子完全自旋极化电子系统的佩尔斯转变。
英文摘要：
Synchrotron X-ray diffraction experiment shows that the metal-insulator transition occurring in a ferromagnetic state of a hollandite K$_2$Cr$_8$O$_{16}$ is accompanied by a structural distortion from the tetragonal $I4/m$ to monoclinic $P112_{1}/a$ phase with a $\sqrt{2}\times\sqrt{2}\times 1$ supercell. Detailed electronic structure calculations demonstrate that the metal-insulator transition is caused by a Peierls instability in the quasi-one-dimensional column structure made of four coupled Cr-O chains running in the $c$-direction, leading to the formation of tetramers of Cr ions below the transition temperature. This furnishes a rare example of the Peierls transition of fully spin-polarized electron systems.
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