论文标题
弱耦合交替$ s = 1/2 $链条中的蜂窝晶格化合物Na $ _2 $ CU $ _2 $ _2 $ _6 $ _6 $
Weakly coupled alternating $S=1/2$ chains in the distorted honeycomb lattice compound Na$_2$Cu$_2$TeO$_6$
论文作者
论文摘要
带有交替的抗铁磁(AF)和铁磁(FM)耦合的Spin-1/2链显示出量子纠缠,例如整数旋转haldane链,并可能同样用于量子计算。已经提出了这种交替的AF-FM链条在扭曲的蜂窝状晶体化合物Na $ _2 $ _2 $ _2 $ _2 $ teo $ _6 $中实现,但要确认这张图片对(包括理想化模型之外的术语)的全面了解。在这里,我们采用中子散射来研究Na $ _2 $ cu $ _2 $ teo $ _6 $中的自旋动力学,并通过随机阶段近似和密度功能理论(DFT)方法准确地确定耦合强度。我们发现AF和FM内部耦合是自旋哈密顿量中的主要术语,而链链耦合是AF但扰动的。可以通过其不同的交换路径来理解耦合强度和内部耦合的交替迹象的层次结构。我们的结果确定了Na $ _2 $ CU $ _2 $ teo $ _6 $作为弱耦合交替的AF-FM链链,并揭示了在弱链耦合下交替链中间隙基态在交替链中的稳健性。
Spin-1/2 chains with alternating antiferromagnetic (AF) and ferromagnetic (FM) couplings exhibit quantum entanglement like the integer-spin Haldane chains and might be similarly utilized for quantum computations. Such alternating AF-FM chains have been proposed to be realized in the distorted honeycomb-lattice compound Na$_2$Cu$_2$TeO$_6$, but to confirm this picture a comprehensive understanding of the exchange interactions including terms outside of the idealized model is required. Here we employ neutron scattering to study the spin dynamics in Na$_2$Cu$_2$TeO$_6$ and accurately determine the coupling strengths through the random phase approximation and density functional theory (DFT) approaches. We find the AF and FM intrachain couplings are the dominant terms in the spin Hamiltonian, while the interchain couplings are AF but perturbative. This hierarchy in the coupling strengths and the alternating signs of the intrachain couplings can be understood through their different exchange paths. Our results establish Na$_2$Cu$_2$TeO$_6$ as a weakly-coupled alternating AF-FM chain compound and reveal the robustness of the gapped ground state in alternating chains under weak interchain couplings.