arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 0705.0668cond-mat.str-el
收藏

三角形反铁磁体AgNiO2中电荷序消除的轨道简并

Orbital degeneracy removed by charge order in triangular antiferromagnet AgNiO2

E. Wawrzynska, R. Coldea, E. M. Wheeler, I. I. Mazin, M. D. Johannes, T. Sorgel, M. Jansen, R. M. Ibberson, P. G. Radaelli

摘要:

我们报道了轨道简并自旋1/2六角反铁磁体AgNiO 2的高分辨中子衍射研究。具有膨胀和收缩的NiO 6八面体的三重晶胞的结构转变指示Ni三角晶格上的根(3)X根(3)电荷序。这表明电荷序作为一种可能的机制,在电荷涨落的存在下,作为替代Jahn-Teller扭曲的轨道简并度的提升。一种新的磁性基态观察到在基准温度下与富电子S = 1镍网站安排在交替铁磁行的三角形晶格,周围的蜂窝网络的非磁性和金属镍离子。我们还报告了第一性原理能带结构计算,解释微观这些现象的起源。

英文摘要:

We report a high-resolution neutron diffraction study on the orbitally-degenerate spin-1/2 hexagonal antiferromagnet AgNiO2. A structural transition to a tripled unit cell with expanded and contracted NiO6 octahedra indicates root(3) x root(3) charge order on the Ni triangular lattice. This suggests charge order as a possible mechanism of lifting the orbital degeneracy in the presence of charge fluctuations, as an alternative to Jahn-Teller distortions. A novel magnetic ground state is observed at base temperatures with the electron-rich S = 1 Ni sites arranged in alternating ferromagnetic rows on a triangular lattice, surrounded by a honeycomb network of non-magnetic and metallic Ni ions. We also report first-principles band-structure calculations that explain microscopically the origin of these phenomena.

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。

↑