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Using the first principles calculations based on density functional theory, we study the electronic band structure, the phonon dispersion, and the phonon density of states of the iron-based superconductor LiFeAs. The obtained ground state of LiFeAs is of the fluctuated antiferromagnetic order and partial structural relaxation. A comparson of phonon densities of states between in the striped antiferromagnetic ordering and in the nonmagnetic state indicates that the anisotropic spin interactions result in phonon softening of Fe and As atomic vibrations, thereby enhancing the electron-phonon coupling. As a result, the spin-phonon interaction plas an important role in the unconventional superconductivity.
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Keywords:
- iron-based superconductor /
- anti-ferromagnetic order /
- superconductivity /
- electron-phonon coupling
[1] Boeri L, Dolgov O V, Golubov A A 2008 Phys. Rev. Lett. 101 026403
[2] Subedi A, Zhang L, Singh D J, Du M H 2008 Phys. Rev. B 78 134514
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[8] Egami T, Fine B V, Parshall D, Subedi A, Singh D J 2010 Advances in condensed Matter Physics 2010 164916
[9] Noffsinger J, Giustino F, Louie SG, Cohen ML 2009 Phys. Rev. Lett. 102 147003
[10] Zbiri M, Schober H, Johnson M R, Rols S, Mittal R, Su Y X, Rotter M, Johrendt D 2009 Phys. Rev. B 79 064511
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[14] Tapp J H, Tang Z J, Lv B, Sasmal K, Lorenz B, Chu P C W, Guloy A M 2008 Phys. Rev. B 78 060505
[15] Chu C W, Chen F, Gooch M, Guloy A M, Lorenz B, Lv B, Sasmal K, Tang Z J, Tapp J H, Xue Y Y 2009 Physica C 469 326
[16] Gooch M, Lv B, Tapp J H, Tang Z, Lorenz B, Guloy A M, Chu P C W 2009 Europhys. Lett. 85 27005
[17] Pratt F L, Pratt F L, Baker P J, Blundell S J, Lancaster T, Lewtas H J, Adamson P, Pitcher M J, Parker D R, Clarke S J 2009 Phys. Rev. B 79 052508
[18] Borisenko S V, Zabolotnyy V B, Evtushinsky D V, Kim T K, Morozov I V, Yaresko A N, Kordyuk A A, Behr G, Vasiliev A, Follath R, Büchner B 2010 Phys. Rev. Lett. 105 067002
[19] Zhang S J, Wang X C, Sammynaiken R, Tse J S, Yang L X, Li Z, Liu Q Q, Desgreniers S, Yao Y, Liu H Z, Jin C Q 2009 Phys. Rev. B 80 014506
[20] Chen G F, Hu W Z, Luo J L, Wang N L 2009 Phys. Rev. Lett.102 227004
[21] Singh D J 2008 Phys. Rev. B 78 094511
[22] Liu S, Li B, Wang W, Wang J, Liu M 2010 Acta Phys. Sin. 59 4245 (in Chinese) [刘 甦、李 斌、王 玮、汪 军、刘 楣 2010 物理学报 59 4245 ]
[23] Ma F J, Lu Z Y, Xiang T 2008 Phys. Rev. B 78 224517
[24] Wang W, Li B, Liu S, Liu M, Xing Z W 2010 J. of Appl. Phys. 107 123906
[25] Singh D J, Du M H 2008 Phys. Rev. Lett. 100 237003
[26] Wu Z, Cohen R E 2006 Phys. Rev. B 73 235116
[27] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[28] Li Z, Tse J S, Jin C Q 2009 Phys. Rev. B 80 092503
[29] Jishi R A, Alyahyaei H M 2010 Advances in Condensed Matter Physics 2010 804343
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[1] Boeri L, Dolgov O V, Golubov A A 2008 Phys. Rev. Lett. 101 026403
[2] Subedi A, Zhang L, Singh D J, Du M H 2008 Phys. Rev. B 78 134514
[3] Yildirim T 2009 Phys. Rev. Lett. 102 037003
[4] Huang G Q, Xing Z W, Xing D Y 2010 Phys. Rev. B 82 014511
[5] Tacon M Le, Forrest T R, Rüegg Ch, Bosak A, Walters A C, Mittal R, Rnnow H M, Zhigadlo N D, Katrych S, Karpinski J, Hill J P, Krisch M, McMorrow D F 2009 Phys. Rev. B 80 220504R
[6] Liu R H, Wu T, Wu G, Chen H, Wang X F, Xie Y L, Yin J J, Yan Y J, Li Q J, Shi B C, Chu W S, Wu Z Y, Chen X H 2009 Nature 459 64
[7] McGuire M A, Christianson A D, Sefat A S, Sales B C, Lumsden M D, Jin R , Payzant E A, Mandrus D, Luan Y, Keppens V, Varadarajan V, Brill J W, Hermann R P, Sougrati M T, Grandjean F, Long G J 2008 Phys. Rev. B 78 094517
[8] Egami T, Fine B V, Parshall D, Subedi A, Singh D J 2010 Advances in condensed Matter Physics 2010 164916
[9] Noffsinger J, Giustino F, Louie SG, Cohen ML 2009 Phys. Rev. Lett. 102 147003
[10] Zbiri M, Schober H, Johnson M R, Rols S, Mittal R, Su Y X, Rotter M, Johrendt D 2009 Phys. Rev. B 79 064511
[11] Mittal R, Zbiri M, Rols S, Su Y, Xiao Y, Schober H, Chaplot S L, Johnson M, Chatterji T, Matsuishi S, Hosono H, Brueckel T 2009 Phys. Rev. B 79 214514
[12] Li Z C, Lu W, Dong X L, Zhou F, Zhao Z X 2010 Chin. Phys. B 19 026103
[13] Deng Z, Wang X C, Liu Q Q, Zhang S J, Lv Y X, Zhu J L, Yu R C, Jin C Q 2009 Europhys. Lett. 87 37004
[14] Tapp J H, Tang Z J, Lv B, Sasmal K, Lorenz B, Chu P C W, Guloy A M 2008 Phys. Rev. B 78 060505
[15] Chu C W, Chen F, Gooch M, Guloy A M, Lorenz B, Lv B, Sasmal K, Tang Z J, Tapp J H, Xue Y Y 2009 Physica C 469 326
[16] Gooch M, Lv B, Tapp J H, Tang Z, Lorenz B, Guloy A M, Chu P C W 2009 Europhys. Lett. 85 27005
[17] Pratt F L, Pratt F L, Baker P J, Blundell S J, Lancaster T, Lewtas H J, Adamson P, Pitcher M J, Parker D R, Clarke S J 2009 Phys. Rev. B 79 052508
[18] Borisenko S V, Zabolotnyy V B, Evtushinsky D V, Kim T K, Morozov I V, Yaresko A N, Kordyuk A A, Behr G, Vasiliev A, Follath R, Büchner B 2010 Phys. Rev. Lett. 105 067002
[19] Zhang S J, Wang X C, Sammynaiken R, Tse J S, Yang L X, Li Z, Liu Q Q, Desgreniers S, Yao Y, Liu H Z, Jin C Q 2009 Phys. Rev. B 80 014506
[20] Chen G F, Hu W Z, Luo J L, Wang N L 2009 Phys. Rev. Lett.102 227004
[21] Singh D J 2008 Phys. Rev. B 78 094511
[22] Liu S, Li B, Wang W, Wang J, Liu M 2010 Acta Phys. Sin. 59 4245 (in Chinese) [刘 甦、李 斌、王 玮、汪 军、刘 楣 2010 物理学报 59 4245 ]
[23] Ma F J, Lu Z Y, Xiang T 2008 Phys. Rev. B 78 224517
[24] Wang W, Li B, Liu S, Liu M, Xing Z W 2010 J. of Appl. Phys. 107 123906
[25] Singh D J, Du M H 2008 Phys. Rev. Lett. 100 237003
[26] Wu Z, Cohen R E 2006 Phys. Rev. B 73 235116
[27] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[28] Li Z, Tse J S, Jin C Q 2009 Phys. Rev. B 80 092503
[29] Jishi R A, Alyahyaei H M 2010 Advances in Condensed Matter Physics 2010 804343
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