Do Transition-Metal Substitutions Dope Carriers in Iron-Based Superconductors?

被引:104
作者
Berlijn, Tom [1 ]
Lin, Chia-Hui [1 ,2 ]
Garber, William [1 ]
Ku, Wei [1 ,2 ]
机构
[1] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA
[2] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11790 USA
关键词
D O I
10.1103/PhysRevLett.108.207003
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We investigate the currently debated issue concerning whether transition-metal substitutions dope carriers in iron-based superconductors. From first-principles calculations of the configuration-averaged spectral function of BaFe2As2 with disordered Co or Zn substitutions of Fe, important doping effects are found beyond merely changing the carrier density. While the chemical potential shifts suggest doping of a large amount of carriers, a reduction of the coherent carrier density is found due to the loss of spectral weight. Therefore, none of the change in the Fermi surface, density of states, or charge distribution can be solely used for counting doped coherent carriers, let alone presenting the full effects of the disordered substitutions. Our study highlights the necessity of including disorder effects in the studies of doped materials in general.
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页数:5
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共 32 条
[21]   Charge dynamics of Co-doped BaFe2As2 [J].
Lucarelli, A. ;
Dusza, A. ;
Pfuner, F. ;
Lerch, P. ;
Analytis, J. G. ;
Chu, J-H ;
Fisher, I. R. ;
Degiorgi, L. .
NEW JOURNAL OF PHYSICS, 2010, 12
[22]   Three-Dimensional Electronic Structure of Superconducting Iron Pnictides Observed by Angle-Resolved Photoemission Spectroscopy [J].
Malaeb, Walid ;
Yoshida, Teppei ;
Fujimori, Atsushi ;
Kubota, Masato ;
Ono, Kanta ;
Kihou, Kunihiro ;
Shirage, Parasharam M. ;
Kito, Hijiri ;
Iyo, Akira ;
Eisaki, Hiroshi ;
Nakajima, Yasuyuki ;
Tamegai, Tsuyoshi ;
Arita, Ryotaro .
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2009, 78 (12)
[23]  
Merz M., ARXIV12051693
[24]   Evolution of the optical spectrum with doping in Ba(Fe1-xCox)2As2 [J].
Nakajima, M. ;
Ishida, S. ;
Kihou, K. ;
Tomioka, Y. ;
Ito, T. ;
Yoshida, Y. ;
Lee, C. H. ;
Kito, H. ;
Iyo, A. ;
Eisaki, H. ;
Kojima, K. M. ;
Uchida, S. .
PHYSICAL REVIEW B, 2010, 81 (10)
[25]   First-principles calculation of transition-metal impurities in LaFeAsO [J].
Nakamura, Kazuma ;
Arita, Ryotaro ;
Ikeda, Hiroaki .
PHYSICAL REVIEW B, 2011, 83 (14)
[26]   Electron-hole asymmetry in the superconductivity of doped BaFe2As2 seen via the rigid chemical-potential shift in photoemission [J].
Neupane, M. ;
Richard, P. ;
Xu, Y. -M. ;
Nakayama, K. ;
Sato, T. ;
Takahashi, T. ;
Federov, A. V. ;
Xu, G. ;
Dai, X. ;
Fang, Z. ;
Wang, Z. ;
Chen, G. -F. ;
Wang, N. -L. ;
Wen, H. -H. ;
Ding, H. .
PHYSICAL REVIEW B, 2011, 83 (09)
[27]   Effective Band Structure of Random Alloys [J].
Popescu, Voicu ;
Zunger, Alex .
PHYSICAL REVIEW LETTERS, 2010, 104 (23)
[28]   Spin-density-wave anomaly at 140 K in the ternary iron arsenide BaFe2As2 [J].
Rotter, Marianne ;
Tegel, Marcus ;
Johrendt, Dirk ;
Schellenberg, Inga ;
Hermes, Wilfried ;
Poettgen, Rainer .
PHYSICAL REVIEW B, 2008, 78 (02)
[29]   Hall Effect and Resistivity Study of the Magnetic Transition, Carrier Content, and Fermi-Liquid Behavior in Ba(Fe1-xCox)2As2 [J].
Rullier-Albenque, F. ;
Colson, D. ;
Forget, A. ;
Alloul, H. .
PHYSICAL REVIEW LETTERS, 2009, 103 (05)
[30]   Electronic structure calculations of solids using the WIEN2k package for material sciences [J].
Schwarz, K ;
Blaha, P ;
Madsen, GKH .
COMPUTER PHYSICS COMMUNICATIONS, 2002, 147 (1-2) :71-76