arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1104.4017cond-mat.mtrl-scicond-mat.str-el
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Na1. 5VOPO 4 F 0. 5的相分离和方格子阻挫磁性

Phase separation and frustrated square lattice magnetism of Na1.5VOPO4F0.5

A. A. Tsirlin, R. Nath, A. M. Abakumov, Y. Furukawa, D. C. Johnston, M. Hemmida, H. -A. Krug von Nidda, A. Loidl, C. Geibel, H. Rosner

摘要:

报道了自旋为1/2的量子磁体Na_(1.5)VOPO_(4F)_(0.5)的晶体结构、电子结构和磁性。Na原子的无序导致了一系列结构相变,这些结构相变由同步辐射X射线粉末衍射和电子衍射揭示。在500 K的高温二级α<-->-β转变是有序-无序型的,而<-->在250 K附近的低温β-γ + γ '转变是一级的,并导致向具有Na的长程(γ)和短程(γ')有序的多晶型物的相分离。尽管复杂的结构变化,磁行为的Na1.5VOPO4F0.5探测磁化率,热容,和电子自旋共振测量是很好地描述了由定期受挫的正方形晶格模型的高温α-多晶型。平均最近邻和次最近邻耦合分别为J1 ~-3.7K和J2 ~ 6.6K。核磁共振进一步揭示了在低磁场中TN = 2.6 K以下的长程有序。虽然实验数据与简化的正方形晶格描述一致,但能带结构计算表明,Na原子的有序化引入了大量的不等价交换耦合,这些耦合将正方形晶格分裂成格片。此外,钒多面体之间的直接连接诱导了异常强的层间耦合,对比热的跃迁熵和跃迁异常产生影响。的低温晶体结构和同构材料的关系的特殊功能,建议Na 1.5VOPO4F0.5作为母体化合物的四聚正方形晶格的实验研究,以及沮丧的正方形晶格与不同值的自旋。

英文摘要:

Crystal structure, electronic structure, and magnetic behavior of the spin-1/2 quantum magnet Na1.5VOPO4F0.5 are reported. The disorder of Na atoms leads to a sequence of structural phase transitions revealed by synchrotron x-ray powder diffraction and electron diffraction. The high-temperature second-order alpha <--> beta transition at 500 K is of the order-disorder type, whereas the low-temperature beta <--> gamma+gamma' transition around 250 K is of the first order and leads to a phase separation toward the polymorphs with long-range (gamma) and short-range (gamma') order of Na. Despite the complex structural changes, the magnetic behavior of Na1.5VOPO4F0.5 probed by magnetic susceptibility, heat capacity, and electron spin resonance measurements is well described by the regular frustrated square lattice model of the high-temperature alpha-polymorph. The averaged nearest-neighbor and next-nearest-neighbor couplings are J1 ~ -3.7 K and J2 ~ 6.6 K, respectively. Nuclear magnetic resonance further reveals the long-range ordering below TN = 2.6 K in low magnetic fields. Although the experimental data are consistent with the simplified square-lattice description, band structure calculations suggest that the ordering of Na atoms introduces a large number of inequivalent exchange couplings that split the square lattice into plaquettes. Additionally, the direct connection between the vanadium polyhedra induces an unusually strong interlayer coupling having effect on the transition entropy and the transition anomaly in the specific heat. Peculiar features of the low-temperature crystal structure and the relation to isostructural materials suggest Na1.5VOPO4F0.5 as a parent compound for the experimental study of tetramerized square lattices as well as frustrated square lattices with different values of spin.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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