Electronic structure of possible nickelate analogs to the cuprates
Electronic structure of possible nickelate analogs to the cuprates
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DOI：
10.1103/physrevb.59.7901
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发表时间：
1999-03-15
影响因子：
3.7
通讯作者：
Rice, TM
中科院分区：
文献类型：
--
作者：
Anisimov, VI;Bukhvalov, D;Rice, TM
研究了镍价从1+到3+的各种镍氧化物的电子结构，目的是找到与等电子铜酸盐的相似性和差异。只有当Ni离子被迫与O离子形成平面配位时，才能实现具有困难的Ni+氧化态的S = 1/2磁性绝缘体，并且可能掺杂有直接类似于超导铜氧化物的低自旋（S = 0）Ni 2+空穴。更常见的Ni 3+氧化态不能用于制造母磁性绝缘体，因为它形成为嵌入在巡回O孔的海洋中的局部S = 1 Ni 2+。通过2 p-3d杂化，这些空穴与局域自旋的强耦合导致了具有大近藤温度的重费米子系统，这在LaNiO 3的实验中得到了证实。[S0163-1829（99）03411-6]。
The electronic structure of various nickel oxides with nickel valence varying from 1+ to 3+ was investigated with the aim to find similarities and differences to the isoelectronic cuprates. Only if the Ni ions are forced into a planar coordination with the O ions can a S = 1/2 magnetic insulator be realized with the difficult Ni+ oxidation state and possibly doped with low spin (S = 0) Ni2+ holes directly analogous to the superconducting cuprates. The more common Ni3+ oxidation state cannot be used to make a parent magnetic insulator as it forms rather as localized S = 1 Ni2+ embedded in a sea of itinerant O holes. Strong coupling of these holes to the localized spins via 2p-3d hybridization leads to a heavy-fermion system with a large Kondo temperature, which was confirmed experimentally for LaNiO3. [S0163-1829(99)03411-6].