Jahn-Teller Effect of the B12 Icosahedron and Its General Influence on the Valence Band Structures of Boron-Rich Solids

Jahn-Teller Effect of the B12 Icosahedron and Its General Influence on the Valence Band Structures of Boron-Rich Solids
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DOI:
10.1209/0295-5075/9/2/009
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发表时间:
1989-05
期刊:
EPL
影响因子:
1.8
通讯作者:
R. Franz;H. Werheit
R. Franz;H. Werheit
中科院分区:
物理与天体物理4区
文献类型:
--
作者:
R. Franz;H. Werheit

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The B12 icosahedron, hitherto assumed to be regular, is actually distorted by the Jahn-Teller effect. Accordingly the degeneracy of the uppermost partially occupied energy level is lifted, and occupied and unoccupied states become separated. Hence in most boron-rich solids with icosahedral structures an intrinsic high-density acceptor level results, which additionally underlies a Hubbard splitting. This allows now to interpret narrowly related fundamental characteristics like semiconduction and p-type behaviour as well as previously not correlatable electronic properties of the boron-rich solids consistently.