POSSIBILITY FOR AN INTERMEDIATE-SPIN GROUND-STATE IN THE CHARGE-TRANSFER MATERIAL SRCOO3
POSSIBILITY FOR AN INTERMEDIATE-SPIN GROUND-STATE IN THE CHARGE-TRANSFER MATERIAL SRCOO3
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DOI：
10.1103/physrevb.51.11501
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发表时间：
1995-05-01
影响因子：
3.7
通讯作者：
ABBATE, M
中科院分区：
文献类型：
--
作者：
POTZE, RH;SAWATZKY, GA;ABBATE, M
讨论了d5（d 6）系统中存在中间自旋基态的可能性。中间自旋态通过与之杂交的配体空穴态的相对稳定性而稳定。利用原子多重态计算表明，当Co 4+（d5）的基态为d 6L态时，Co 4+（d5）的中间自旋基态是可能的.从比较的实验Co 2 p X-射线吸收光谱与计算的一个，我们假设一个中间自旋基态SrCoO 3。中间自旋基态是一个高度对称的状态，每个网站上的高自旋Co d 6离子。然后每个氧贡献1/3的空穴，其反铁磁耦合到两个相邻的Co离子。以这种方式，巡回氧孔耦合的高自旋Co d 6离子铁磁。用这个引入铁磁关联的氧空穴模型，我们也可以解释轻微掺杂的LaCoO 3的自旋玻璃行为。
We discuss the possibility of an intermediate-spin ground state for a d 5 (d 6) system. The intermediate-spin state is stabilized by the relative stability of the ligand hole state that it hybridizes with. Using atomic multiplet calculations we showed that an intermediate-spin ground state is possible for Co 4+(d 5) when the d 6 L state dominates the ground state. From a comparison of the experimental Co 2p x-ray absorption spectroscopy spectrum with the calculated one we assume an intermediate-spin ground state for SrCoO 3. The intermediate-spin ground state is a highly symmetrical state with high-spin Co d 6 ions on each site. Each oxygen then contributes 1/3 hole which is antiferromagnetically coupled to both neighboring Co ions. In this way the itinerant oxygen holes couple the high-spin Co d 6 ions ferromagnetically. With this model of oxygen holes that introduce ferromagnetic correlations we can also explain the spin-glass behavior for slightly doped LaCoO 3.