Fermi Surfaces of Alkali-Metal-Doped C60 Solid
Fermi Surfaces of Alkali-Metal-Doped C60 Solid
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碱金属掺杂 C60 固体的费米面
DOI：
10.1143/jjap.30.l2036
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发表时间：
1991
期刊：
影响因子：
--
通讯作者：
A. Oshiyama
中科院分区：
文献类型：
--
作者：
N. Hamada;S. Saito;Y. Miyamoto;A. Oshiyama
我们提出的第一性原理电子结构计算提供了在费米面的KxC 60的突出特点。我们发现存在两个主要的费米面：一个是围绕布里渊区中心的空穴袋，另一个是延伸到布里渊区边界的大空穴面。我们还发现费米面嵌套导致磁化率χ（q）在q=（1，0，0）2π/a处出现一个峰值，这可能导致这种奇异物质的不稳定性.
We present the first-principles electronic-structure calculation which provides outstanding features in the Fermi surface of KxC60. We have found that there exist two main Fermi surfaces: One is a hole pocket around the center of the Brillouin zone, and the other a large hole surface extending to the zone boundary. We have also found Fermi-surface nesting resulting in a peak at q=(1, 0, 0)2π/a in the susceptibility χ(q), which may induce an instability in this exotic material.