Doping Driven (π, 0) Nesting and Magnetic Properties of Fe1+xTe Superconductors

被引:92
作者
Han, Myung Joon [1 ]
Savrasov, Sergey Y. [1 ]
机构
[1] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA
关键词
DYNAMICS;
D O I
10.1103/PhysRevLett.103.067001
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
To understand newly discovered superconductivity in Fe-based systems, we investigate the electronic structure and magnetic properties of Fe1+xTe using first-principles density functional calculations. While the undoped FeTe has the same Fermi surface nested at (pi,pi) as in Fe arsenides, doping by similar to 0.5 electrons reveals a novel square-type Fermi surface showing a strong (pi,0) nesting and leading to a different magnetic structure. Our result strongly supports the same mechanism of superconductivity in chalcogenides as in the arsenides, reconciling theory with existing experiments. The calculated magnetic interactions are found to be critically dependent on doping and notably different from the arsenides.
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页数:4
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共 33 条
[21]   Superconductivity in S-substituted FeTe [J].
Mizuguchi, Yoshikazu ;
Tomioka, Fumiaki ;
Tsuda, Shunsuke ;
Yamaguchi, Takahide ;
Takano, Yoshihiko .
APPLIED PHYSICS LETTERS, 2009, 94 (01)
[22]   Superconductivity at 27 K in tetragonal FeSe under high pressure [J].
Mizuguchi, Yoshikazu ;
Tomioka, Fumiaki ;
Tsuda, Shunsuke ;
Yamaguchi, Takahide ;
Takano, Yoshihiko .
APPLIED PHYSICS LETTERS, 2008, 93 (15)
[23]   Superconductivity at 55 K in iron-based F-doped layered quaternary compound Sm[O1-xFx] FeAs [J].
National Laboratory for Superconductivity, Institute of Physics, Chinese Academy of Sciences, PO Box 603, Beijing 100190, China .
Chin. Phys. Lett., 2008, 6 (2215-2216) :2215-2216
[24]   Superconductivity at 38 K in the iron arsenide (Ba1-xKx)Fe2As2 [J].
Rotter, Marianne ;
Tegel, Marcus ;
Johrendt, Dirk .
PHYSICAL REVIEW LETTERS, 2008, 101 (10)
[25]   Linear-response theory and lattice dynamics: A muffin-tin-orbital approach [J].
Savrasov, SY .
PHYSICAL REVIEW B, 1996, 54 (23) :16470-16486
[26]   Electronic structure of Fe-based superconductors [J].
Singh, D. J. .
PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS, 2009, 469 (9-12) :418-424
[27]   Electronic structure and doping in BaFe2As2 and LiFeAs:: Density functional calculations [J].
Singh, D. J. .
PHYSICAL REVIEW B, 2008, 78 (09)
[28]   Density functional study of FeS, FeSe, and FeTe: Electronic structure, magnetism, phonons, and superconductivity [J].
Subedi, Alaska ;
Zhang, Lijun ;
Singh, D. J. ;
Du, M. H. .
PHYSICAL REVIEW B, 2008, 78 (13)
[29]   LiFeAs:: An intrinsic FeAs-based superconductor with Tc=18 K [J].
Tapp, Joshua H. ;
Tang, Zhongjia ;
Lv, Bing ;
Sasmal, Kalyan ;
Lorenz, Berrid ;
Chu, Paul C. W. ;
Guloy, Arnold M. .
PHYSICAL REVIEW B, 2008, 78 (06)
[30]   Calculation of magnetic exchange interactions in Mott-Hubbard systems [J].
Wan, Xiangang ;
Yin, Quan ;
Savrasov, Sergej Y. .
PHYSICAL REVIEW LETTERS, 2006, 97 (26)