ELECTRONIC BAND-STRUCTURE OF LANIO3
ELECTRONIC BAND-STRUCTURE OF LANIO3
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DOI：
10.1016/0022-3697(93)90159-o
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发表时间：
1993-10-01
影响因子：
4
通讯作者：
HAMADA, N
中科院分区：
文献类型：
--
作者：
HAMADA, N
用局域密度全势线性化缀加平面波(FLAPW)能带结构计算研究了LaNiO_3的金属性质。对于假设的立方钙钛矿结构，我们发现了一个内部有空穴的大费米面，这类似于氧化物高温超导体中看到的费米面。在实验中观察到的菱面体扭曲作用下，大的费米面坍塌成带有电子和空穴的小表面。如果我们稳定立方结构，我们可以预期这种材料的超导电性类似于立方的Ba1-xKxBiO3
The metallic nature of LaNiO3 is studied by the local-density full-potential linearized augmented-plane-wave (FLAPW) band structure calculation. For a hypothetical cubic perovskite structure, we have found a large Fermi surface with a hole inside, which is similar to the Fermi surface seen in oxide high-T(c) superconductors. Applying a rhombohedral distortion observed experimentally, the large Fermi surface collapses into small surfaces with electrons and holes. If we stabilize a cubic structure, we may expect the superconductivity in this material on the analogy of the cubic Ba1-xKxBiO3