论文标题
了解SR $ _ {3} $ OSO $ _ {6} $的好奇磁状态
Understanding the Curious Magnetic State of Sr$_{3}$OsO$_{6}$
论文作者
论文摘要
受到有关高t $ _c $铁磁性绝缘状态的单个过渡金属含有双重钙钛矿化合物，sr $ _3 $ _3 $ oso $ _6 $（Wakabayashi等人，Nature Commun，Nature Commun {\ bf 10} 535，2019年）的动机$ T_ {2G} $两个OS站点的多重问题。我们的分析强调了以下事实：在外延生长的薄膜中，SR $ _3 $ oso $ _6 $的稳定性是铁磁相关性和与之相关的高温尺度的关键。这也为姐妹化合物提供了自然的解释，ca $ _3 $ oso $ _6 $，以在其单斜层结构中展示低t $ _n $ antytromagnetism。此外，发现绝缘属性是由在半填充的旋转轨道耦合$ j = 3/2 $歧管$ d^{2} $ OS中的旋转轨道耦合$ j = 3/2 $歧管所驱动的。我们指出，SR $ _2 $ caoso $ _6 $在立方阶段自然形成，值得探索作为未来的候选人，以表现出高t $ _c $ _c $ ferromagnetic绝缘状态。
Motivated by the recent report on high T$_c$ ferromagnetic insulating state of single transition metal containing double perovskite compound, Sr$_3$OsO$_6$ (Wakabayashi et. al., Nature Commun {\bf 10} 535, 2019), we study this curious behavior by employing first-principles calculations in conjunction with exact diagonalization of full $t_{2g}$ multiplet problem of two Os sites. Our analysis highlights the fact that stabilization of Sr$_3$OsO$_6$ in the cubic phase in epitaxially grown thin film is the key to both ferromagnetic correlation and high temperature scale associated to it. This also provides a natural explanation for the sister compound, Ca$_3$OsO$_6$ to exhibit low T$_N$ antiferromagnetism in its monoclinic structure. Further the insulating property is found to be driven by opening of Mott gap in the half filled spin-orbit coupled $j=3/2$ manifold of $d^{2}$ Os. We point out that Sr$_2$CaOsO$_6$ which naturally forms in the cubic phase would be worthwhile to explore as a future candidate to exhibit high T$_c$ ferromagnetic insulating state in bulk form.
