GGA+U–DFT+U modeling structural, electronic and magnetic properties investigation on the ferromagnetic and anti-ferromagnetic BaFeO3 characteristics: Insights from First-principle calculation

Superlattices and Microstructures - Tập 76 - Trang 425-435 - 2014
Hamdad Noura1
1Condensed Matter and Sustainable Development Laboratory, University of Sidi-Bel-Abbès, Faculty of Technology, Sidi-Bel-Abbès 22000, Algeria

Tài liệu tham khảo

Eerenstein, 2007, Nat. Mater., 6, 348, 10.1038/nmat1886 Spaldin, 2010, Phys. Today, 63, 38, 10.1063/1.3502547 Wolf, 2001, Science, 294, 1488, 10.1126/science.1065389 Binasch, 1989, Phys. Rev. B, 39, 4828, 10.1103/PhysRevB.39.4828 Baibich, 1988, Phys. Rev. Lett., 61, 2472, 10.1103/PhysRevLett.61.2472 2000, vol. 2 Millis, 1996, Phys. Rev. Lett., 77, 175, 10.1103/PhysRevLett.77.175 Solís, 2008, Solid State Ionics, 179, 1996, 10.1016/j.ssi.2008.06.004 Dasgupta, 2002, Solid State Ionics, 149, 227, 10.1016/S0167-2738(02)00179-0 Anderson, 1992, Solid State Ionics, 52, 33, 10.1016/0167-2738(92)90089-8 B.C.H. Steele, in: B.C.H Steele, D.P. Thompson (Eds.), British Ceramic Proceeding Advanced Ceramics in Chemical Process Engineering, vol. 43, 1988, p. 163. Steele, 1996, Ceramic ion conducting membranes, Curr. Opin. Solid State Mater. Sci., 1, 684, 10.1016/S1359-0286(96)80052-0 Schmidt, 2002, J. Phys. Chem. Solids, 63, 2085, 10.1016/S0022-3697(02)00198-1 Peña, 2001, Chem. Rev., 101, 1981, 10.1021/cr980129f Raveau, 1986, Proc. Indian Natl. Sci. Acad. Part A, 52, 67 Choudhary, 2000, Appl. Catal. A, 197, L183, 10.1016/S0926-860X(99)00485-8 Lemée, 2011, Matér. Tech., 99, 457, 10.1051/mattech/2011051 Yuan, 2004, Appl. Phys. Lett., 84, 3352, 10.1063/1.1734685 Craik, 1975 Callender, 2008, Appl. Phys. Lett., 92, 012514, 10.1063/1.2832768 Zhi Li, Robert Laskowski, Toshiaki Iitaka, Takami Tohyama, arXiv:1203.5470v1 [cond-mat.str-el] (2012). Jiang, 2006, J. Phys. Chem. Solids, 67, 1531, 10.1016/j.jpcs.2006.02.004 Muller, 1974 Verma, 2009, J. Alloy. Compd., 485, 514, 10.1016/j.jallcom.2009.06.001 Moreira, 2007, J. Phys. Chem. Solids, 68, 1617, 10.1016/j.jpcs.2007.03.050 Heap, 2007, Solid State Commun., 141, 467, 10.1016/j.ssc.2006.11.037 Lucchini, 1973, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 29, 1219, 10.1107/S0567740873004267 Mailnofsky, 1954, J. Am. Chem. Soc., 76, 3090, 10.1021/ja01640a081 Mori, 1970, J. Phys. Soc. Jpn., 28, 44, 10.1143/JPSJ.28.44 Iga, 1992, J. Magn. Magn. Mater., 104, 1973, 10.1016/0304-8853(92)91628-7 Norton, 1993, Appl. Phys. Lett., 62, 1679, 10.1063/1.109574 Norton, 1994, Appl. Phys. Lett., 65, 2869, 10.1063/1.112519 Matsui, 2002, Appl. Phys. Lett., 81, 2764, 10.1063/1.1513213 Matsui, 2003, J. Appl. Phys., 93, 6993, 10.1063/1.1556166 Perdew, 1996, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865 Blaha, 2001 Hohenberg, 1964, Phys. Rev., B64, 136 Perdew, 1992, Phys. Rev., 45, 13244, 10.1103/PhysRevB.45.13244 Slater, 1951, Phys. Rev., 81, 385, 10.1103/PhysRev.81.385 Kohn, 1965, Phys. Rev., A1133, 140 Murnaghan, 1944, Proc. Natl. Acad. Sci. USA, 30, 5390 Mandal, 2004, Phys. Rev. B, 69, 224418, 10.1103/PhysRevB.69.224418 Hamdad, 2011, Physica B, 406, 1194, 10.1016/j.physb.2010.11.018 Hamdad, 2013, Superlattices Microstruct., 63, 182, 10.1016/j.spmi.2013.08.002