论文标题
s = 1/2 mo（v）系统中的一维量子磁性，kmoop2o7
One-Dimensional Quantum Magnetism in the S = 1/2 Mo(V) system, KMoOP2O7
论文作者
论文摘要
我们提出了$ s = 1/2 $ mo $ $ $ $ $ $^{5+} $ System，kmoop $ _2 $ o $ $ _7 $的全面实验和AB-Initio研究，并证明它意识到$ s = 1/2 $ heisenberg链链链抗FiferFerromagnet型号。粉末中子衍射表明，kmoop $ _2 $ o $ _7 $形成一个由Mo $ $ $ $ $ $^{5+} $链组成的磁网络，其单斜$ $ p2_1/n $结构。 Mo $ $^{5+} $链中的抗磁相互作用是通过磁力测量测量确定的，并通过分析磁性热量来确认。后者揭示了一个广泛的功能，以$ t_ \ textrm {n} = 0.54 $ k为中心，我们将其归因于远程抗fiferromagnetic Order的发作。但是，在0.05 k的粉末中子衍射数据中未观察到磁性bragg散射，这与在上限$μ_\ textrm {ord} <0.15μ__\ textrm {b} $的上极限$μ__\ textrm {ord} $一致。通过分析非弹性中子散射数据，验证了KMOOP $ _2 $ o $ _7 $的磁相关性的一维特征，从而获得了$ j_ \ textrm {1} \ 34 $ k和$ j_ \ j_ \ j_ \ textrm {2} \ textrm {2}} \ 2 $ k的模型。这些实验发现的起源是通过密度功能理论计算来解决的。
We present a comprehensive experimental and ab-initio study of the $S=1/2$ Mo$^{5+}$ system, KMoOP$_2$O$_7$, and show that it realizes the $S = 1/2$ Heisenberg chain antiferromagnet model. Powder neutron diffraction reveals that KMoOP$_2$O$_7$ forms a magnetic network comprised of pairs of Mo$^{5+}$ chains within its monoclinic $P2_1/n$ structure. Antiferromagnetic interactions within the Mo$^{5+}$ chains are identified through magnetometry measurements and confirmed by analysis of the magnetic specific heat. The latter reveals a broad feature centred on $T_\textrm{N} = 0.54$ K, which we ascribe to the onset of long-range antiferromagnetic order. No magnetic Bragg scattering is observed in powder neutron diffraction data collected at 0.05 K, however, which is consistent with a strongly suppressed ordered moment with an upper limit $μ_\textrm{ord} < 0.15 μ_\textrm{B}$. The one-dimensional character of the magnetic correlations in KMoOP$_2$O$_7$ is verified through analysis of inelastic neutron scattering data, resulting in a model with $J_\textrm{1} \approx 34$ K and $J_\textrm{2} \approx -2$ K for the intrachain and interchain exchange interactions, respectively. The origin of these experimental findings are addressed through density-functional theory calculations.
