Spin-orbit coupling in the band structure of reconstructed 1T-TaS2

被引：112

作者：

Rossnagel, K

Smith, NV

机构：

[1] Univ Kiel, Inst Expt & Angew Phys, D-24098 Kiel, Germany

[2] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA

[3] BESSY, D-12489 Berlin, Germany

来源：

PHYSICAL REVIEW B | 2006年 / 73卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.73.073106

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Empirical tight-binding simulations of the band structure of 1T-TaS2 reveal that the combination of spin-orbit coupling and the low-temperature root 13 X root 13 reconstruction generates a distinct and very narrow band at the Fermi level. Spin-orbit interaction is therefore important in any understanding of the correlation effects in this material. The states within the split-off band are primarily of d(x)(2)-y(2), d(xy) character and reside preferentially on the central atom of the "Star-of-David" cluster.

引用

页数：3

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