ELECTRONIC-STRUCTURE AND MAGNETISM OF THE SEMIMETALS ERAS AND ERXSC1-XAS

被引:38
作者
PETUKHOV, AG
LAMBRECHT, WRL
SEGALL, B
机构
来源
PHYSICAL REVIEW B | 1994年 / 50卷 / 11期
关键词
D O I
10.1103/PhysRevB.50.7800
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present results of linear muffin-tin-orbital band-structure calculations of ErAs in the local-spin-density approximation. While the exchange splitting and cyclotron masses are in good agreement with experimental data, we find the Fermi surface dimensions of this semimetal to be significantly overestimated. A good fit to recently measured Shubnikov-de Haas oscillations in ErxSc1-xAs is obtained when the Delta(2)' band is shifted upward by a quasiparticle self-energy correction. The effects due to alloying with Sc are taken into account in a virtual-crystal approximation.
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页码:7800 / 7804
页数:5
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