Magnetic model for the ordered double perovskites

被引:33
作者
Sanyal, Prabuddha [1 ]
Majumdar, Pinaki [1 ]
机构
[1] Harish Chandra Res Inst, Allahabad 211019, Uttar Pradesh, India
来源
PHYSICAL REVIEW B | 2009年 / 80卷 / 05期
关键词
ab initio calculations; antisite defects; electronic structure; exchange interactions (electron); Monte Carlo methods; SR2FEMOO6; MAGNETORESISTANCE; TRANSITION; ALLOYS;
D O I
10.1103/PhysRevB.80.054411
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We construct an effective spin model from the coupled spin-fermion problem appropriate to double perovskites of the form A(2)BB(')O(6). The magnetic model that emerges is reminiscent of double exchange and we illustrate this "reduction" in detail for the case of perfect B-B(') structural order, i.e., no antisite disorder. We estimate the effective exchange between the magnetic B ions in terms of the electronic parameters, study the "classical" magnetic model using Monte Carlo techniques and compare this approach to a full numerical solution of the spin-fermion problem. The agreement is surprisingly good and promises a quick estimate of magnetic properties when coupled with ab initio electronic structure. The scheme generalizes to the presence of antisite disorder.
引用
收藏
页数:11
相关论文
共 25 条
[1]   Phase diagram and influence of defects in the double perovskites -: art. no. 214423 [J].
Alonso, JL ;
Fernández, LA ;
Guinea, F ;
Lesmes, F ;
Martín-Mayor, V .
PHYSICAL REVIEW B, 2003, 67 (21)
[2]   Third-generation TB-LMTO [J].
Andersen, OK ;
Arcangeli, C ;
Tank, RW ;
Saha-Dasgupta, T ;
Krier, G ;
Jepsen, O ;
Dasgupta, I .
TIGHT-BINDING APPROACH TO COMPUTATIONAL MATERIALS SCIENCE, 1998, 491 :3-34
[3]   Muffin-tin orbitals of arbitrary order [J].
Andersen, OK ;
Saha-Dasgupta, T .
PHYSICAL REVIEW B, 2000, 62 (24) :16219-16222
[4]  
ANDERSON O, LECT NOTES IN PRESS
[5]   Mean-field theory for double perovskites:: Coupling between itinerant electron spins and localized spins [J].
Brey, L. ;
Calderon, M. J. ;
Das Sarma, S. ;
Guinea, F. .
PHYSICAL REVIEW B, 2006, 74 (09)
[6]   Ferromagnetic transition in ordered double perovskites and related alloys [J].
Carvajal, E ;
Navarro, O ;
Allub, R ;
Avignon, M ;
Alascio, B .
EUROPEAN PHYSICAL JOURNAL B, 2005, 48 (02) :179-187
[7]   Theory of transition temperature of magnetic double perovskites [J].
Chattopadhyay, A ;
Millis, AJ .
PHYSICAL REVIEW B, 2001, 64 (02)
[8]   Magnetic and magnetotransport properties of the ordered perovskite Sr2FeMoO6 [J].
García-Landa, B ;
Ritter, C ;
Ibarra, MR ;
Blasco, J ;
Algarabel, PA ;
Mahendiran, R ;
García, J .
SOLID STATE COMMUNICATIONS, 1999, 110 (08) :435-438
[9]   Possible percolation and magnetoresistance in ordered double perovskite alloys Sr2Fe(W1-xMox)O6 [J].
Kobayashi, KI ;
Okuda, T ;
Tomioka, Y ;
Kimura, T ;
Tokura, Y .
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2000, 218 (01) :17-24
[10]   Sr2CrOsO6:: End point of a spin-polarized metal-insulator transition by 5d band filling [J].
Krockenberger, Y. ;
Mogare, K. ;
Reehuis, M. ;
Tovar, M. ;
Jansen, M. ;
Vaitheeswaran, G. ;
Kanchana, V. ;
Bultmark, F. ;
Delin, A. ;
Wilhelm, F. ;
Rogalev, A. ;
Winkler, A. ;
Alff, L. .
PHYSICAL REVIEW B, 2007, 75 (02)