PL EN


Preferences help
enabled [disable] Abstract
Number of results
2016 | 130 | 2 | 655-658
Article title

Mulliken Occupation as the Indicator of Transition to Superconducting State in SrFe₂As₂ and BaFe₂As₂

Authors
Content
Title variants
Languages of publication
EN
Abstracts
EN
Basing on the ab initio calculations performed within full potential local orbital minimum basis method, the Mulliken occupation of the Sr 5s (n_{5s}) and Ba 6p (n_{6p}) states can serve as an indicator of transition to the superconducting state in doped SrFe₂As₂ and BaFe₂As₂ compounds where the iron was substituted with cobalt or in the pristine compounds under pressure. The estimated pressure, at which both compounds exhibit superconductivity based on Sr 5s and Ba 6p occupation is in good agreement with the recently published experimental data.
Keywords
EN
Year
Volume
130
Issue
2
Pages
655-658
Physical description
Dates
published
2016-08
References
  • [1] A.D. Christianson, E.A. Goremychkin, R. Osborn, S. Rosenkranz, M.D. Lumsden, C.D. Malliakas, I.S. Todorov, H. Claus, D.Y. Chung, M.G. Kanatzidis, R.I. Bewley, T. Guidi, Nature 456, 930 (2008), doi: 10.1038/nature07625
  • [2] M. Rotter, M. Tegel, D. Johrendt, Phys. Rev. Lett. 101, 107006 (2008), doi: 10.1103/PhysRevLett.101.107006
  • [3] E. Aktürk, S. Ciraci, Phys. Rev. B 79, 184523 (2009), doi: 10.1103/PhysRevB.79.184523
  • [4] M. Tegel, M. Rotter, V. Weiß, F.M. Schappacher, R. Pöttgen, D. Johrendt, J. Phys. Condens. Matter 20, 452201 (2008), doi: 10.1088/0953-8984/20/45/452201
  • [5] A. Leithe-Jasper, W. Schnelle, C. Geibel, H. Rosner, Phys. Rev. Lett. 101, 207004 (2008), doi: 10.1103/PhysRevLett.101.207004
  • [6] H. Takahashi, H. Okada, K. Igawa, K. Arii, Y. Kamiharai, S. Matsuishi, M. Hirano, H. Hosono, K. Matsubayashi, Y. Uwatoko, J. Phys. Soc. Jpn. 77 Suppl. C, 78 (2008)
  • [7] P.L. Alireza, Y.T.C. Ko, J. Gillett, C.M. Petrone, J.M. Cole, G.G. Lonzarich, S.E. Sebastian, J. Phys. Condens. Matter 21, 012208 (2009), doi: 10.1088/0953-8984/21/1/012208
  • [8] M. Kumar, M. Nicklas, A. Jesche, N. Caroca-Canales, M. Schmitt, M. Hanfland, D. Kasinathan, U. Schwarz, H. Rosner, C. Geibel, Phys. Rev. B 78, 184516 (2008), doi: 10.1103/PhysRevB.78.184516
  • [9] W.O. Uhoya, J.M. Montgomery, G.M. Tsoi, Y.K. Vohra, M.A. McGuire, A.S. Sefat, B.C. Sales, S.T. Weir, J. Phys. Condens. Matter 23, 122201 (2011), doi: 10.1088/0953-8984/23/12/122201
  • [10] A. Mani, N. Ghosh, S. Paulraj, A. Bharathi, C.S. Sundar, Europhys. Lett. 87, 17004 (2009), doi: 10.1209/0295-5075/87/17004
  • [11] J.-H. Chu, J.G. Analytis, C. Kucharczyk, I.R. Fisher, Phys. Rev. B 79, 014506 (2009), doi: 10.1103/PhysRevB.79.014506
  • [12] A. Lucarelli, A. Dusza, F. Pfuner, P. Lerch, J.G. Analytis, J.-H. Chu, I.R. Fisher, L. Degiorgi, New J. Phys. 12, 073036 (2010), doi: 10.1088/1367-2630/12/7/073036
  • [13] J.-E. Jorgensen, T.C. Hansen, Eur. Phys. J. B 78, 411 (2010), doi: 10.1140/epjb/e2010-10522-1
  • [14] R. Mittal, S.K. Mishra, S.L. Chaplot, S.V. Ovsyannikov, E. Greenberg, D.M. Trots, L. Dubrovinsky, Y. Su, Th. Brueckel, S. Matsuishi, H. Hosono, G. Garbarino, arXiv: 1007.2320 http://arXiv.org/abs/1007.2320
  • [15] R.S. Mulliken, J. Chem. Phys. 23, 1833 (1955), doi: 10.1063/1.1740588
  • [16] J. Goraus, A. Ślebarski, Phys. Lett. A 375, 3469 (2011), doi: 10.1016/j.physleta.2011.08.003
  • [17] J. Goraus, A. Ślebarski, Solid State Commun. 151, 1318 (2011), doi: 10.1016/j.ssc.2011.06.027
  • [18] K. Koepernik, H. Eschrig, Phys. Rev. B 59, 1743 (1999), doi: 10.1103/PhysRevB.59.1743
  • [18a] I. Opahle, K. Koepernik, H. Eschrig, Phys. Rev. B 60, 14035 (1999), doi: 10.1103/PhysRevB.60.14035
  • [18b] K. Koepernik, B. Velicky, R. Hayn, H. Eschrig, Phys. Rev. B 55, 5717 (1997), doi: 10.1103/PhysRevB.55.5717
  • [18c] H. Eschrig, M. Richter, I. Opahle, in: Relativistic Electronic Structure Theory, Part 2, Applications, Ed. P. Schwerdtfeger, Theoretical and Computational Chemistry, Vol. 13, Elsevier, 2004, p. 723
  • [18d] H. Eschrig, K. Koepernik, I. Chaplygin, J. Solid State Chem. 176, 482 (2003), doi: 10.1016/S0022-4596(03)00274-3
  • [18e] FPLO Homepage http://www.fplo.de
  • [19] J.P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992), doi: 10.1103/PhysRevB.45.13244
  • [19a] D.M. Ceperley, B.J. Alder, Phys. Rev. Lett. 45, 566 (1980)
  • [20] M. Rotter, M. Tegel, D. Johrendt, Phys. Rev. Lett. 101, 107006 (2008), doi: 10.1103/PhysRevLett.101.107006
Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv130n235kz
Identifiers
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.