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arXiv 1104.1445cond-mat.supr-concond-mat.str-el
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调制正方晶格上扩展的J1-J2模型的磁phase diagram及其对KyFexSe2反铁磁相的意义

The magnetic phase diagram of an extended J1-J2 model on a modulated square lattice and its implications for the antiferromagnetic phase of KyFexSe2

Rong Yu, Pallab Goswami, Qimiao Si

摘要:

基于实验观察到的$\sqrt{5} \times \sqrt{5}$铁空位有序和$\mathrm{K}_{0.8}\mathrm{Fe}_{1.6}\mathrm{Se}_2$中具有大磁矩的块自旋反铁磁相,我们利用经典的Monte Carlo方法研究了含$\sqrt{5} \times \sqrt{5}$空位有序的1/5耗尽正方晶格上扩展的$J_1-J_2$模型的磁相图.磁相图中包含各种反铁磁有序相,其中大多数具有更高的有序度。我们发现,实验相关的块自旋状态占据了相图的重要部分,我们讨论了这个阶段使用线性自旋波分析的自旋动力学。基于我们的自旋波计算在不同的参数制度对应的块自旋反铁磁相,我们展示了如何自旋波简并沿高对称性方向的磁布里渊区可以提供有关的信息有关的基本交换耦合。我们还分析了与$\mathrm{K}_y\mathrm{Fe}_{1.5}\mathrm{Se}_2$有关的两种不同调制正方晶格上的$J_1-J_2$模型的磁相图,它们分别表现出1/4耗尽的$2\times2$和$4\times2$空位有序.

英文摘要:

Motivated by the experimentally observed $\sqrt{5} \times \sqrt{5}$ iron vacancy order and a block spin antiferromagnetic phase with large magnetic moment in $\mathrm{K}_{0.8}\mathrm{Fe}_{1.6}\mathrm{Se}_2$, we study the magnetic phase diagram of an extended $J_1-J_2$ model on a 1/5-depleted square lattice with $\sqrt{5} \times \sqrt{5}$ vacancy order, using a classical Monte Carlo analysis. The magnetic phase diagram involves various antiferromagnetically ordered phases, and most of them have higher order commensuration. We find that the experimentally relevant block-spin state occupies a significant portion of the phase diagram, and we discuss the spin dynamics of this phase using a linear spin-wave analysis. Based on our spin wave calculations in different parameter regimes corresponding to the block spin antiferromagnetic phase, we show how spin-wave degeneracy along the high symmetry directions of the magnetic Brillouin zone can provide information regarding the underlying exchange couplings. We have also analyzed the magnetic phase diagram of a $J_1-J_2$ model on two different modulated square lattices relevant for $\mathrm{K}_y\mathrm{Fe}_{1.5}\mathrm{Se}_2$, which respectively exhibit 1/4-depleted $2\times2$ and $4\times2$ vacancy ordering.

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