在ZrMnP和HfMnP中发现具有大磁各向异性的铁磁性
Discovery of ferromagnetism with large magnetic anisotropy in ZrMnP and HfMnP
摘要：
用自熔法生长了ZrMnP和HfMnP单晶，研究了其结构和温度依赖的磁性和输运性质。这两种化合物都具有斜方晶体结构。ZrMnP和HfMnP是铁磁性的，居里温度分别在$370$ ~K和$320$ ~K附近。ZrMnP和HfMnP的自发磁化强度为$1.9$ ~ $μ_\textrm{B}$ /f. u。和$2.1$ ~ $μ_\textrm{B}$ /f. u.在$50$ ~K.根据熵变估算了ZrMnP的磁热效应（$ΔS$）为$-6.7$ kJ m $^{-3}$ K $^{-1}$，约为$369$ ~K。两种化合物的易磁化轴均为[100]，相对于[010]轴具有较小的各向异性。在$50$ ~K处，沿[001]轴的各向异性场对于ZrMnP为$\sim4.6$ ~T，对于HfMnP为$\sim10$ ~T。考虑到这些化合物中不存在稀土元素，这种大的磁各向异性是显著的。第一原理计算正确地预测了这两种化合物的磁化强度和难磁化轴取向，并预测实验HfMnP各向异性场在25%以内。更重要的是，我们的计算表明，大的磁各向异性主要来自锰原子，这表明类似的大的各向异性可能会发现在其他3D过渡金属化合物。
英文摘要：
ZrMnP and HfMnP single crystals are grown by a self-flux growth technique and structural as well as temperature dependent magnetic and transport properties are studied. Both compounds have an orthorhombic crystal structure. ZrMnP and HfMnP are ferromagnetic with Curie temperatures around $370$~K and $320$~K respectively. The spontaneous magnetizations of ZrMnP and HfMnP are determined to be $1.9$~$μ_\textrm{B}$/f.u. and $2.1$~$μ_\textrm{B}$/f.u. respectively at $50$~K. The magnetocaloric effect of ZrMnP in term of entropy change ($ΔS$) is estimated to be $-6.7$ kJm$^{-3}$K$^{-1}$ around $369$~K. The easy axis of magnetization is [100] for both compounds, with a small anisotropy relative to the [010] axis. At $50$~K, the anisotropy field along the [001] axis is $\sim4.6$~T for ZrMnP and $\sim10$~T for HfMnP. Such large magnetic anisotropy is remarkable considering the absence of rare-earth elements in these compounds. The first principle calculation correctly predicts the magnetization and hard axis orientation for both compounds, and predicts the experimental HfMnP anisotropy field within 25 percent. More importantly, our calculations suggest that the large magnetic anisotropy comes primarily from the Mn atoms suggesting that similarly large anisotropies may be found in other 3d transition metal compounds.
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