Where Are the Extra d Electrons in Transition-Metal-Substituted Iron Pnictides?

被引：138

作者：

Wadati, H. ^{[1
]}

Elfimov, I. ^{[2
]}

Sawatzky, G. A. ^{[1
]}

机构：

[1] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada

[2] Univ British Columbia, Adv Mat & Proc Engn Lab, Vancouver, BC V6T 1Z4, Canada

来源：

PHYSICAL REVIEW LETTERS | 2010年 / 105卷 / 15期

基金：

加拿大自然科学与工程研究理事会;

关键词：

D O I：

10.1103/PhysRevLett.105.157004

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Transition-metal substitution in Fe pnictides leading to superconductivity is usually interpreted in terms of carrier doping to the system. We report on a density functional calculation of the local substitute electron density and demonstrate that substitutions like Co and Ni for Fe do not carrier dope but rather are isovalent to Fe. We find that the extra d electrons for Co and Ni are almost totally located within the muffin-tin sphere of the substituted site. We suggest that Co and Ni act more like random scatterers scrambling momentum space and washing out parts of the Fermi surface.

引用

页数：4

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