PL EN


Preferences help
enabled [disable] Abstract
Number of results
2015 | 127 | 2 | 251-253
Article title

Electronic Band Structures of La_{2/3}Pb_{1/3}Mn_{2/3}(Fe,Co,Ni)_{1/3}O_{3}

Content
Title variants
Languages of publication
EN
Abstracts
EN
We present calculations of the electronic band structures of La_{2/3}Pb_{1/3}Mn_{2/3}(Fe,Co,Ni)_{1/3}O_{3} colossal magneto-resistance manganites. The calculations are based on first-principles density functional theory with general gradient approximation GGA+U using WIEN2k package. The calculations show that electronic structures of these compounds consist mainly of Mn 3d, O 2p, and (Fe,Co,Ni) 3d states, which are hybridized over whole valence bands. Substitution Mn ion by Fe, Co, or Ni ions reduces the Mn and O contributions to the valence bands and weakens the double exchange interaction. The results are in good agreement with available experimental data.
Keywords
Contributors
author
  • Department of Solid State Physics, AGH University of Science and Technology, al. A. Mickiewicza 30, 30-059 Kraków, Poland
author
  • Department of Solid State Physics, AGH University of Science and Technology, al. A. Mickiewicza 30, 30-059 Kraków, Poland
  • Department of Solid State Physics, AGH University of Science and Technology, al. A. Mickiewicza 30, 30-059 Kraków, Poland
References
  • [1] E. Dagotto, Nanoscale Phase Separation and Colossal Magnetoresistance, Springer, Berlin 2002
  • [2] C. Zener, Phys. Rev. 82, 403 (1951), doi: 10.1103/PhysRev.82.403
  • [3] P.W. Anderson, H. Hasegawa, Phys. Rev. 100, 675 (1955), doi: 10.1103/PhysRev.100.675
  • [4] J. Goodenough, Phys. Rev. 100, 564 (1955), doi: 10.1103/PhysRev.100.564
  • [5] P.G. de Gennes, Phys. Rev. 118, 141 (1960), doi: 10.1103/PhysRev.118.141
  • [6] P.G. de Gennes, J. Friedel, J. Phys. Chem. Solids 41, 71 (1958), doi: 10.1016/0022-3697(58)90196-3
  • [7] J. Gutiérrez, A. Peña, J.M. Barandiarán, J.L. Pizarro, T. Hernández, L. Lezama, M. Insausti, T. Rojo, Phys. Rev. B 61, 9028 (2000), doi: 10.1103/PhysRevB.61.9028
  • [8] J. Gutiérrez, A. Peña, J.M. Barandiarán, J.L. Pizarro, L. Lezama, M. Insausti, T. Rojo, J. Phys. Condens. Matter 12, 10523 (2000), doi: 10.1088/0953-8984/12/50/313
  • [9] A. Peña, J. Gutiérrez, I.G. de Muro, J. Campo, J.M. Barandiarán, T. Rojo, Eur. J. Inorg. Chem. 2006, 3227 (2006), doi: 10.1002/ejic.200600104
  • [10] A. Peña, J. Gutiérrez, J. Campo, J.M. Barandiarán, L. Lezama, I.G. de Muro, T. Rojo, Eur. J. Inorg. Chem. 2008, 2569 (2008), doi: 10.1002/ejic.200701173
  • [11] P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2K: An Augmented Plane Wave and Local Orbitals Program for Calculating Crystal Properties, Vienna University of Technology, Vienna 2001
  • [12] P. Hohenberg, W. Kohn, Phys. Rev. B 136, 864 (1964), doi: 10.1103/PhysRev.136.B864
  • [13] W. Kohn, L.J. Sham, Phys. Rev. 140, 1133 (1965), doi: 10.1103/PhysRev.140.A1133
  • [14] J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996), doi: 10.1103/PhysRevLett.77.3865
  • [15] J.P. Perdew, A. Ruzsinszky, G.I. Csonka, O.A. Vydrov, G.E. Scuseria, L.A. Constantin, X. Zhou, K. Burke, Phys. Rev. Lett. 100, 136406 (2008), doi: 10.1103/PhysRevLett.100.136406
  • [16] S. Kümmel, L. Kronik, Rev. Mod. Phys. 80, 3 (2008), doi: 10.1103/RevModPhys.80.3
  • [17] F. Tran, P. Blaha, K. Schwarz, P. Novák, Phys. Rev. B 74, 155108 (2006), doi: 10.1103/PhysRevB.74.155108
  • [18] P.E. Blöchl, O. Jepsen, O.K. Andersen, Phys. Rev. B 49, 16223 (1994), doi: 10.1103/PhysRevB.49.16223
  • [19] G. Gritzner, M. Koppe, K. Kellner, J. Przewoźnik, J. Chmist, A. Kołodziejczyk, K. Krop, Appl. Phys. A 81, 1491 (2005), doi: 10.1007/s00339-005-3285-2
  • [20] W. Tokarz, M. Kowalik, R. Zalecki, A. Kołodziejczyk, Acta Phys. Pol. A 121, 1151 (2012) http://przyrbwn.icm.edu.pl/APP/PDF/121/a121z5p48.pdf
  • [21] W. Tokarz, M. Kowalik, A. Kołodziejczyk, Acta Phys. Pol. A 121, 876 (2012) http://przyrbwn.icm.edu.pl/APP/PDF/121/a121z4p203.pdf
  • [22] J.J. Yeh, I. Lindau, At. Data Nucl. Data Tables 32, 1 (1985), doi: 10.1016/0092-640X(85)90016-6
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv127n2027kz
JavaScript is turned off in your web browser. Turn it on to take full advantage of this site, then refresh the page.