ELECTRONIC-STRUCTURE AND OPTICAL-PROPERTIES OF FESI, A STRONGLY CORRELATED INSULATOR

被引:117
作者
FU, C
KRIJN, MPCM
DONIACH, S
机构
[1] LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87544
[2] PHILIPS RES LABS,5600 JA EINDHOVEN,NETHERLANDS
[3] STANFORD UNIV,DEPT APPL PHYS,STANFORD,CA 94305
来源
PHYSICAL REVIEW B | 1994年 / 49卷 / 03期
关键词
D O I
10.1103/PhysRevB.49.2219
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Kondo insulators are a class of materials with a nonmagnetic ground state characterized by extremely narrow charge-excitation gaps induced by strong electron correlations. Prompted by suggestions that FeSi may be strongly correlated in a similar class to the Kondo insulators, we present results for the electronic structure and optical properties for FeSi calculated with a self-consistent augmented spherical wave method. The calculated indirect gap (approximate to 0.1 eV) is roughly consistent with resistivity measurements which indicate a gap of about 50 meV. We calculate the optical response incorporating simple finite-temperature effects, namely, electron-phonon scattering of intrinsic carriers. We find that this provides a poor direct fit to recent infrared measurements. The number of intrinsic carriers is low compared to experimental observations, even with an ad hoc renormalization of the gap, and a strong scattering mechanism with attendant disordering of the band structure is required as well.
引用
收藏
页码:2219 / 2222
页数:4
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