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Magnetic Hyperfine Interactions of ~(119)Sn Probe Atoms in the Binary Perovskite CaCu_3Mn_4O_(12)

机译:钙钛矿型CaCu_3Mn_4O_(12)中〜(119)Sn探针原子的磁超精细相互作用

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The manganite CaCu_3Mn_4O_(12) doped by ~(119)Sn atoms (about 1 at % with respect to Mn atoms) is studied by M_ssbauer spectroscopy. The introduction of diamagnetic tin atoms is found not to affect the structure of the manganite. Tetravalent tin atoms are shown to substitute for the isovalent manganese atoms that are located in an octahedral oxygen surrounding. The cluster method of molecular orbitals is used to calculate the contributions of Mn~(4+) and Cu~(2+) cations that belong to different structural sublattices to the hyperfine magnetic field at ~(119)Sn nuclei (H_(Sn) = 105 kOe at T = 77 K). These partial contributions are analyzed, and the intrasublattice Mn~(4+)-O-Mn~(4+) exchange interactions are found to play a significant role in the formation of the magnetic structure of the manganite.
机译:用M_ssbauer光谱学研究了掺杂有〜(119)Sn原子(相对于Mn原子约为1 at%)的锰CaCa_3Mn_4O_(12)。发现引入抗磁性的锡原子不会影响锰矿的结构。已显示四价锡原子替代了位于八面体氧周围的等价锰原子。使用分子轨道的聚类方法计算属于不同结构亚晶格的Mn〜(4+)和Cu〜(2+)阳离子对〜(119)Sn核(H_(Sn)在T = 77 K时= 105 kOe)。分析了这些部分贡献,发现亚晶格内的Mn〜(4 +)-O-Mn〜(4+)交换相互作用在锰矿磁性结构形成中起着重要作用。

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