首页> 外文OA文献 >Filling the holes in the CaFe$_{4}$As$_{3}$ structure: synthesis and magnetism of CaCo$_{5}$As$_{3}$
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Filling the holes in the CaFe$_{4}$As$_{3}$ structure: synthesis and magnetism of CaCo$_{5}$As$_{3}$

机译:填补CaFe中的漏洞$ _ {4} $ as $ _ {3} $结构:综合和   CaCo的磁性$ _ {5} $ as $ _ {3} $

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摘要

Here we investigate single crystals of CaCo$_{5}$As$_{3}$ by means of singlecrystal X-ray diffraction, microprobe, magnetic susceptibility, heat capacity,and pressure-dependent transport measurements. CaCo$_{5}$As$_{3}$ shares thesame structure of CaFe$_{4}$As$_{3}$ with an additional Co atom filling alattice vacancy and undergoes a magnetic transition at $T_{M} = 16$ Kassociated with a frustrated magnetic order. CaCo$_{5}$As$_{3}$ displaysmetallic behavior and its Sommerfeld coefficient ($\gamma = 70$ mJ/mol.K$^{2}$)indicates a moderate enhancement of electron-electron correlations. Transportdata under pressures to $2.5$ GPa reveal a suppression of $T_{M}$ at a rate of$-0.008$ K/GPa. First-principle electronic structure calculations show acomplex 3D band structure and magnetic moments that depend on the localenvironment at each Co site. Our results are compared with previous data onCaFe$_{4}$As$_{3}$ and provide a scenario for a magnetically frustrated groundstate in this family of compounds.
机译:在这里,我们通过单晶X射线衍射,微探针,磁化率,热容量和压力依赖性传输测量研究CaCo $ _ {5} $ As $ _ {3} $的单晶。 CaCo $ _ {5} $ As $ _ {3} $与CaFe $ _ {4} $ As $ _ {3} $具有相同的结构,并具有额外的Co原子填充晶格空位,并且在$ T_ {M } = 16 $与沮丧的磁阶相关联。 CaCo $ _ {5} $ As $ _ {3} $显示金属行为,其Sommerfeld系数($ \ gamma = 70 $ mJ / mol.K $ ^ {2} $)表示电子-电子相关性的中等增强。在$ 2.5 GPa的压力下,Transportdata显示出以$ -0.008 $ K / GPa的速率抑制了T_ {M} $。第一性原理电子结构计算显示了复杂的3D能带结构和磁矩,这些磁矩取决于每个Co站点的局部环境。我们的结果与CaFe $ _ {4} $ As $ _ {3} $上的先前数据进行了比较,并提供了该化合物家族中受磁抑制的基态的情景。

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