论文标题
DiaMagnetic D-Orbitals驱动磁性结构选择在双钙钛矿BA $ _2 $ MNTEO $ _6 $
Diamagnetic d-orbitals Drive Magnetic Structure Selection in the Double Perovskite Ba$_2$MnTeO$_6$
论文作者
论文摘要
B-Site订购了$ _2 $ b'b''o $ _6 $ double Perovskites具有多种用作磁性材料的应用。在这里，我们表明diamagnetic $ d^{10} $和$ d^0 $ b''阳离子对这些材料中的磁相互作用产生了重大影响。我们提出了Mn $^{2+}的中子散射和理论研究，$ double perovskite ba $ _2 $ mnteo $ _6 $，$ 4D^{10} $ te $^$^{6+} $ cation b''' - 网站。发现它是I型抗铁磁铁，具有主要的邻居$ J_1 $相互作用。相比之下，$ 5D^0 $ W $^{6+} $ Analogue Ba $ _2 $ mnwo $ _6 $是II型AntiferRomagnet，具有重要的下一步最静止$ j_2 $互动。这是由于$ d^{10} $/$ d^0 $效果，其中不同的轨道杂交与氧2p导致不同的superexchange途径。我们表明，$ d^{10} $ b''Cation阳离子促进了最近的邻居，$ d^0 $ cations促进了下一个邻居的互动。 $ d^{10} $/$ d^0 $效果可用于调整双钙晶的磁相互作用。
B-site ordered A$_2$B'B''O$_6$ double perovskites have a variety of applications as magnetic materials. Here we show that diamagnetic $d^{10}$ and $d^0$ B'' cations have a significant effect on the magnetic interactions in these materials. We present a neutron scattering and theoretical study of the Mn$^{2+}$ double perovskite Ba$_2$MnTeO$_6$ with a $4d^{10}$ Te$^{6+}$ cation on the B''-site. It is found to be a Type I antiferromagnet with a dominant nearest-neighbor $J_1$ interaction. In contrast, the $5d^0$ W$^{6+}$ analogue Ba$_2$MnWO$_6$ is a Type II antiferromagnet with a significant next-nearest-neighbor $J_2$ interaction. This is due to a $d^{10}$/$d^0$ effect, where the different orbital hybridization with oxygen 2p results in different superexchange pathways. We show that $d^{10}$ B'' cations promote nearest neighbor and $d^0$ cations promote next-nearest-neighbor interactions. The $d^{10}$/$d^0$ effect could be used to tune magnetic interactions in double perovskites.
