Lattice and magnetism in superconducting compounds Ca1-xKxFe2As2

被引：2

作者：

Ma Huan-Feng ^{[2
]}

Pan Min ^{[1
]}

Huang Zheng ^{[2
]}

Qiang Wei-Rong ^{[2
]}

Wang Long ^{[2
]}

Liang Fan-Yan ^{[1
]}

Zhao Yong ^{[1
,3
]}

机构：

[1] SW Jiaotong Univ, Key Lab Magnet Levitat Technol & Maglev Trains, Minist Educ China, SRDC, Chengdu 610031, Peoples R China

[2] SW Jiaotong Univ, Sch Phys Sci & Technol, Chengdu 610031, Peoples R China

[3] Univ New S Wales, Superconduct Res Grp, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia

来源：

CHINESE PHYSICS B | 2010年 / 19卷 / 03期

基金：

中国国家自然科学基金;

关键词：

Ca1-xKxFe2As2; density functional theory (DFT); lattice; magnetic moment; 43; K;

D O I：

10.1088/1674-1056/19/3/037401

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Based on the density functional theory (DFT), using the scheme of the linearized augmented plane wave and the improved local orbital (APW + lo), the structure, the electronic bands and the magnetism of superconducting compounds Ca1-xKxFe2As2 ( x = 0, 0.25, 0.5, 0.75, 1) are optimized and calculated. The calculation results indicate that with K-doping the lengths of the a, b axes can decrease, and the length of the c axis, the volume, the energy of spin-down valence bands, and the DOS at the Fermi level can increase, which leads the magnetic moment of the system to increase.

引用

页数：5

共 17 条

[1]

Blaha P., 2001, CALCULATING CRYST PR, V60

[2] Is LaFeAsO1-xFx an electron-phonon superconductor? [J].

Boeri, L. ;

Dolgov, O. V. ;

Golubov, A. A. .

PHYSICAL REVIEW LETTERS, 2008, 101 (02)

[3] Superconductivity at 41 K and its competition with spin-density-wave instability in layered CeO1-xFxFeAs [J].

Chen, G. F. ;

Li, Z. ;

Wu, D. ;

Li, G. ;

Hu, W. Z. ;

Dong, J. ;

Zheng, P. ;

Luo, J. L. ;

Wang, N. L. .

PHYSICAL REVIEW LETTERS, 2008, 100 (24)

[4] Superconductivity at 43 K in SmFeAsO1-xFx [J].

Chen, X. H. ;

Wu, T. ;

Wu, G. ;

Liu, R. H. ;

Chen, H. ;

Fang, D. F. .

NATURE, 2008, 453 (7196) :761-762

[5] Lattice and magnetic instabilities in CaFe2As2:: A single-crystal neutron diffraction study [J].

Goldman, A. I. ;

Argyriou, D. N. ;

Ouladdiaf, B. ;

Chatterji, T. ;

Kreyssig, A. ;

Nandi, S. ;

Ni, N. ;

Bud'ko, S. L. ;

Canfield, P. C. ;

McQueeney, R. J. .

PHYSICAL REVIEW B, 2008, 78 (10)

[6] Iron-based layered superconductor La[O1-xFx]FeAs (x=0.05-0.12) with Tc=26 K [J].

Kamihara, Yoichi ;

Watanabe, Takumi ;

Hirano, Masahiro ;

Hosono, Hideo .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2008, 130 (11) :3296-+

[7] Magnetic and structural transitions in layered iron arsenide systems:: AFe2As2 versus RFeAsO [J].

Krellner, C. ;

Caroca-Canales, N. ;

Jesche, A. ;

Rosner, H. ;

Ormeci, A. ;

Geibel, C. .

PHYSICAL REVIEW B, 2008, 78 (10)

[8]

KURMAEV EZ, 2009, ARXIVCONDMAT09012691

[9] Efficient linearization of the augmented plane-wave method -: art. no. 195134 [J].

Madsen, GKH ;

Blaha, P ;

Schwarz, K ;

Sjöstedt, E ;

Nordström, L .

PHYSICAL REVIEW B, 2001, 64 (19)

[10] First-order structural phase transition in CaFe2As2 [J].

Ni, N. ;

Nandi, S. ;

Kreyssig, A. ;

Goldman, A. I. ;

Mun, E. D. ;

Bud'ko, S. L. ;

Canfield, P. C. .

PHYSICAL REVIEW B, 2008, 78 (01)

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