LiFeAs超导体中磁性与声子软化

李斌; 邢钟文; 刘楣

doi:10.7498/aps.60.077402

摘要

运用第一性原理密度泛函理论研究了铁基超导体LiFeAs的电子结构和声子谱.计算得到的LiFeAs基态具有涨落的条型反铁磁构型.通过比较LiFeAs在非磁态与条形反铁磁态下的声子态密度,发现,LiFeAs中各向异性自旋互作用的竞争产生了不稳定的自旋密度波和部分晶格位置弛豫,导致Fe和As原子振动模式的软化,从而提高电声子耦合强度.因此,自旋-声子互作用对非常规超导电性有重要贡献.

关键词:

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.

Keywords:

作者及机构信息

(1)东南大学物理系,南京 211189; (2)南京大学材料科学与工程系, 南京 210093

基金项目: 国家自然科学基金(批准号:11074109, 110704033, 110704032), 江苏省自然科学基金 (批准号:SBK200920627) 和中国基础研究重点项目 (批准号:2010CB923404.)资助的课题.

Authors and contacts

(1)Department of Materials Science and Engineering, Nanjing University, Nanjing 210093, China; (2)Department of Physics, Southeast University, Nanjing 211189,China

参考文献

[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, Rnnow 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 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

施引文献

[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, Rnnow 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 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

[1]	李更, 丁洪, 汪自强, 高鸿钧. 铁基超导体中的马约拉纳零能模及其阵列构筑. , 2024, 73(3): 030302. doi: 10.7498/aps.73.20232022
[2]	闻海虎. 高温超导体磁通钉扎和磁通动力学研究简介. , 2021, 70(1): 017405. doi: 10.7498/aps.70.20201881
[3]	李妙聪, 陶前, 许祝安. 铁基超导体的输运性质. , 2021, 70(1): 017404. doi: 10.7498/aps.70.20201836
[4]	李世亮, 刘曌玉, 谷延红. 利用单轴压强下的电阻变化研究铁基超导体中的向列涨落. , 2018, 67(12): 127401. doi: 10.7498/aps.67.20180627
[5]	金士锋, 郭建刚, 王刚, 陈小龙. 新型FeSe基超导材料研究进展. , 2018, 67(20): 207412. doi: 10.7498/aps.67.20181701
[6]	林桐, 胡蝶, 时立宇, 张思捷, 刘妍琦, 吕佳林, 董涛, 赵俊, 王楠林. 铁基超导体Li0.8Fe0.2ODFeSe的红外光谱研究. , 2018, 67(20): 207102. doi: 10.7498/aps.67.20181401
[7]	顾强强, 万思源, 杨欢, 闻海虎. 铁基超导体的扫描隧道显微镜研究进展. , 2018, 67(20): 207401. doi: 10.7498/aps.67.20181818
[8]	王志成, 曹光旱. 新型交生结构自掺杂铁基超导体. , 2018, 67(20): 207406. doi: 10.7498/aps.67.20181355
[9]	郭静, 吴奇, 孙力玲. 高压下的铁基超导体:现象与物理. , 2018, 67(20): 207409. doi: 10.7498/aps.67.20181651
[10]	龚冬良, 罗会仟. 铁基超导体中的反铁磁序和自旋动力学. , 2018, 67(20): 207407. doi: 10.7498/aps.67.20181543
[11]	衣玮, 吴奇, 孙力玲. 压力下铁砷基化合物的超导电性研究. , 2017, 66(3): 037402. doi: 10.7498/aps.66.037402
[12]	杜增义, 方德龙, 王震宇, 杜冠, 杨雄, 杨欢, 顾根大, 闻海虎. 铁基超导体FeSe0.5Te0.5表面隧道谱的研究. , 2015, 64(9): 097401. doi: 10.7498/aps.64.097401
[13]	高淼, 孔鑫, 卢仲毅, 向涛. Li2C2中电声耦合及超导电性的第一性原理计算研究. , 2015, 64(21): 214701. doi: 10.7498/aps.64.214701
[14]	俞榕. 铁基超导体多轨道模型中的电子关联与轨道选择. , 2015, 64(21): 217102. doi: 10.7498/aps.64.217102
[15]	李世超, 甘远, 王靖珲, 冉柯静, 温锦生. 铁基超导体Fe1+yTe1-xSex中磁性的中子散射研究. , 2015, 64(9): 097503. doi: 10.7498/aps.64.097503
[16]	李政, 周睿, 郑国庆. 铁基超导体的量子临界行为. , 2015, 64(21): 217404. doi: 10.7498/aps.64.217404
[17]	王玮, 尹新国. 铁基氟化物超导体SrFe1-xCoxAsF(x=0, 0.125)声子特性的第一性原理计算研究. , 2014, 63(9): 097401. doi: 10.7498/aps.63.097401
[18]	孙家法, 王玮. 型烧绿石氧化物超导体AOs2O6 (A=K, Rb) 的声子软化与超导电性. , 2012, 61(13): 137402. doi: 10.7498/aps.61.137402
[19]	刘甦, 李斌, 王玮, 汪军, 刘楣. 铁基化合物 SrFeAsF以及 Co掺杂超导体SrFe0.875Co0.125AsF的电子结构和磁性. , 2010, 59(6): 4245-4252. doi: 10.7498/aps.59.4245
[20]	舒华兵, 刘甦, 马荣, 刘楣. 第一性原理计算MgB2薄膜拉伸对超导电性的影响. , 2007, 56(12): 7262-7265. doi: 10.7498/aps.56.7262

计量

文章访问数: 13902
PDF下载量: 1467
被引次数: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

搜索

留言板