用硬X射线探针研究La_{1-x} Sr_{1+x} MnO_4中掺杂相关的电子再分布和强共价性
A hard X- ray probe to study doping-dependent electron redistribution and strong covalency in La_{1-x}Sr_{1+x}MnO_4
摘要：
用非共振硬X射线发射谱（XES）研究了掺杂对La_{1-x} Sr_{1+x} MnO_4系列（x=0，0.3和0.5）中Mn位电子结构的影响。我们观察到的Mn K-β主线（3 p到1 s的过渡），这是最强的x=0和减少与增加x到0.5的线性二色性。多晶样品中的Mn K-β主线在增加空穴掺杂（由Sr取代La）时的变化比基于形式价态的变化所预期的要小得多。由此，我们得出结论，在Mn位的电荷和自旋密度仅受掺杂的影响很小。这表明空穴注入La_{1-x} Sr_{1+x} MnO_4系列主要导致氧原子上电荷密度的降低，即氧参与了电荷平衡。这些发现得到了多体簇计算的支持。
英文摘要：
The effect of doping on the electronic structure at the Mn sites in the La_{1-x}Sr_{1+x}MnO_4 series (x=0, 0.3 and 0.5) was studied by means of non-resonant hard X- ray emission spectroscopy (XES). We observe a linear dichroism in the Mn K-beta main lines (3p to 1s transitions) that is strongest for x=0 and decreases with increasing x to 0.5. The Mn K-beta main lines in the poly-crystalline samples change considerably less upon increasing the hole doping (substitution of La by Sr) than it would be expected based on the change of formal valence. From this we conclude that the charge and spin density at the Mn sites are only little affected by doping. This implies that holes injected in the La_{1-x}Sr_{1+x}MnO_4 series mainly result in a decrease of charge density on the oxygen atoms, i.e. oxygen takes part in the charge balancing. These findings are supported by many-body cluster calculations.
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