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Using plane-wave pseudopotential method based on first-principles, we calculate the phonon spectra (including phonon dispersion curves and phonon density of states) and electron-phonon coupling constants of SrFe1-xCoxAsF (x=0, 0.125) in tetragonal nonmagnetic (NM) and orthorhombic striped antiferromagnetic (SAF) states. Results show that under striped antiferromagetic interaction the spin-phonon coupling is stronger than the electron-phonon coupling, leading to the decrease of phonon spectra width; and the increased effective phonon quality due to spin effects makes the frequencies of coupling vibration between Fe and As atoms reduced. In addition, doping and spin effects are two effective methods to enhance the electron-phonon coupling, however, the calculated superconducting transition temperature is far lower than the experimental measurement, which rules out the simple electron-coupling superconducting pairing mechanism in SrFe1-xCoxAsF.
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Keywords:
- iron-based fluoride /
- phonon property /
- electron-phonon coupling /
- superconductivity
[1] Kamihara Y, Watanabe T, Hirano M, Hosono H 2008 J. Am. Chem. Soc. 130 3296-3297
[2] Chen G F, Li Z, Wu D, Li G, Hu W Z, Dong J, Zheng P, Luo J L, Wang N L 2008 Phys. Rev. Lett. 100 247002
[3] Chen X H, Wu T, Wu G, Liu R H, Chen H, Fang D F 2008 Nature 453 761
[4] Ren Z A, Yang J, Lu W, Yi W, Shen X L, Li Z C, Che G C, Dong X L, Sun L L, Zhou F, Zhao Z X 2008 EPL 82 57002
[5] Matano K, Ren Z A, Dong X L, Sun L L, Zhao Z X, Zheng G Q 2008 EPL 83 57001
[6] Wang C, Li L J, Chi S, Zhu Z W, Ren Z, Li Y K, Wang Y T, Lin X, Luo Y K, Jiang S, Xu X F, Cao G H, Xu Z A 2008 EPL 83 67006
[7] Sefat A S, Huq A, McGruire M A, Jin R Y, Sales B C, Mandrus D, Cranswick L M D, Stephens P W, Stone K H 2008 Phys. Rev. B 78 104505
[8] Wang C, Li Y K, Zhu Z W, Jiang S, Lin X, Luo Y K, Chi S, Li L J, Ren Z, He M, Chen H, Wang Y T, Tao Q, Cao G H, Xu Z A 2009 Phys. Rev. B 79 054521
[9] Cao G H, Jiang S, Lin X, Wang C, Li Y K, Ren Z, Tao Q, Feng C, Dai J H, Xu Z A, Zhang F C 2009 Phys. Rev. B 79 174505
[10] Xiao Y, Su Y, Mittal R, Chatterji T, Hansen T, Kumar C M N, Matsuishi S, Hosono H, Brueckel Th 2009 Phys. Rev. B 79 060504
[11] Cava R J 2000 J. Am. Ceram. Soc. 83 5
[12] Kandyel E, Sekkina M A 2002 J. Phys. Chem. Solids 63 1815
[13] Matsurshi S, Inoue Y, Numura T, Hirano M, Hosono H 2009 J. Phys. Soc. Jpn. 77 113709
[14] Han F, Zhu X Y, Mu G, Cheng P, Wen H H 2008 Phys. Rev. B 78 180503
[15] Tegel M, Johansson S, Weiss V, Tegel M, Johansson S, Weiss V, Schellenberg I, Hermes W, Pöttegn R, Johrendt D 2008 EPL 84 67007
[16] Wang W, Li B, Liu S, Liu M, Xing Z W 2010 J. Appl. Phys. 107 123906
[17] Zhang X J, Chen C L, Feng F L 2013 Chin. Phys. B 22 096301
[18] Zhang A M, Zhang Q M 2013 Chin. Phys. B 22 087103
[19] Dai Y M, Xu B, Shen B, Xiao H, Lobo R. M P S, Qiu X G 2012 Chin. Phys. B 21 077403
[20] Sun J F, Wang W 2012 Acta Phys. Sin. 61 137402 (in Chinese) [孙家法, 王玮 2012 物理学报 61 137402]
[21] Satoru M, Yasunori I, Takatoshi N, Youichi K, Masahiro H, Hideo H 2009 New Journal of Physics 11 025012
[22] Xia T L, Zhao T S 2011 Supercond. Sci. Technol. 24 095006
[23] Zbiri M, Mittal R, Rols S, Su Y, Xiao Y, Schober H, Chaplot S L, Johnson M R, Chatterji T, Inoue Y, Matsuishi S, Hosono H, Brueckel T 2010 J. Phys. : Condens. Matter 22 315701
[24] Egami T, Fine B V, Parshall D, Subedi A, Singh D J 2010 Adv. Condens. Matter Phys. 2010 164916
[25] Wang W, Sun J F, Li S W 2011 Appl. Phys. Lett. 99 082504
[26] Wang W, Sun J F, Li S W, Lu H Y 2012 Physica C 472 29-33
[27] 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]
[28] Li B, Xing Z W, Liu M 2011 Acta Phys. Sin. 60 077402 (in Chinese) [李斌, 邢钟文, 刘楣 2011 物理学报 60 077402]
[29] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
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[1] Kamihara Y, Watanabe T, Hirano M, Hosono H 2008 J. Am. Chem. Soc. 130 3296-3297
[2] Chen G F, Li Z, Wu D, Li G, Hu W Z, Dong J, Zheng P, Luo J L, Wang N L 2008 Phys. Rev. Lett. 100 247002
[3] Chen X H, Wu T, Wu G, Liu R H, Chen H, Fang D F 2008 Nature 453 761
[4] Ren Z A, Yang J, Lu W, Yi W, Shen X L, Li Z C, Che G C, Dong X L, Sun L L, Zhou F, Zhao Z X 2008 EPL 82 57002
[5] Matano K, Ren Z A, Dong X L, Sun L L, Zhao Z X, Zheng G Q 2008 EPL 83 57001
[6] Wang C, Li L J, Chi S, Zhu Z W, Ren Z, Li Y K, Wang Y T, Lin X, Luo Y K, Jiang S, Xu X F, Cao G H, Xu Z A 2008 EPL 83 67006
[7] Sefat A S, Huq A, McGruire M A, Jin R Y, Sales B C, Mandrus D, Cranswick L M D, Stephens P W, Stone K H 2008 Phys. Rev. B 78 104505
[8] Wang C, Li Y K, Zhu Z W, Jiang S, Lin X, Luo Y K, Chi S, Li L J, Ren Z, He M, Chen H, Wang Y T, Tao Q, Cao G H, Xu Z A 2009 Phys. Rev. B 79 054521
[9] Cao G H, Jiang S, Lin X, Wang C, Li Y K, Ren Z, Tao Q, Feng C, Dai J H, Xu Z A, Zhang F C 2009 Phys. Rev. B 79 174505
[10] Xiao Y, Su Y, Mittal R, Chatterji T, Hansen T, Kumar C M N, Matsuishi S, Hosono H, Brueckel Th 2009 Phys. Rev. B 79 060504
[11] Cava R J 2000 J. Am. Ceram. Soc. 83 5
[12] Kandyel E, Sekkina M A 2002 J. Phys. Chem. Solids 63 1815
[13] Matsurshi S, Inoue Y, Numura T, Hirano M, Hosono H 2009 J. Phys. Soc. Jpn. 77 113709
[14] Han F, Zhu X Y, Mu G, Cheng P, Wen H H 2008 Phys. Rev. B 78 180503
[15] Tegel M, Johansson S, Weiss V, Tegel M, Johansson S, Weiss V, Schellenberg I, Hermes W, Pöttegn R, Johrendt D 2008 EPL 84 67007
[16] Wang W, Li B, Liu S, Liu M, Xing Z W 2010 J. Appl. Phys. 107 123906
[17] Zhang X J, Chen C L, Feng F L 2013 Chin. Phys. B 22 096301
[18] Zhang A M, Zhang Q M 2013 Chin. Phys. B 22 087103
[19] Dai Y M, Xu B, Shen B, Xiao H, Lobo R. M P S, Qiu X G 2012 Chin. Phys. B 21 077403
[20] Sun J F, Wang W 2012 Acta Phys. Sin. 61 137402 (in Chinese) [孙家法, 王玮 2012 物理学报 61 137402]
[21] Satoru M, Yasunori I, Takatoshi N, Youichi K, Masahiro H, Hideo H 2009 New Journal of Physics 11 025012
[22] Xia T L, Zhao T S 2011 Supercond. Sci. Technol. 24 095006
[23] Zbiri M, Mittal R, Rols S, Su Y, Xiao Y, Schober H, Chaplot S L, Johnson M R, Chatterji T, Inoue Y, Matsuishi S, Hosono H, Brueckel T 2010 J. Phys. : Condens. Matter 22 315701
[24] Egami T, Fine B V, Parshall D, Subedi A, Singh D J 2010 Adv. Condens. Matter Phys. 2010 164916
[25] Wang W, Sun J F, Li S W 2011 Appl. Phys. Lett. 99 082504
[26] Wang W, Sun J F, Li S W, Lu H Y 2012 Physica C 472 29-33
[27] 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]
[28] Li B, Xing Z W, Liu M 2011 Acta Phys. Sin. 60 077402 (in Chinese) [李斌, 邢钟文, 刘楣 2011 物理学报 60 077402]
[29] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
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