Stripe segregation and magnetic coupling in the nickelate La5/3Sr1/3NiO4

被引：17
作者：
Schwingenschloegl, Udo [1 ,2 ]
Schuster, Cosima [1 ]
Fresard, Raymond [3 ,4 ]
机构：
[1] Univ Augsburg, Inst Phys, D-86135 Augsburg, Germany
[2] KAUST, PCSE Div, Jeddah 21534, Saudi Arabia
[3] ENSICAEN, ISMRA, CNRS,UMR 6508, Lab CRISMAT, F-14050 Caen, France
[4] IRMA, FR3095, F-14050 Caen, France
来源：
ANNALEN DER PHYSIK | 2009年 / 18卷 / 2-3期
关键词：
Diagonal filled stripes; structure relaxation; electronic structure; CHARGE; LA2-XSRXNIO4; ORDER;
D O I：
10.1002/andp.200910338
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We investigate the consequences of the stripe formation in the nickelate La-5/3Sr1/3NiO4 for the details of its crystal structure and electronic states. Our data are based on numerical simulations within density functional theory (DFT) and the generalized gradient approximation (GGA). The on-site Coulomb interaction is included in terms of the LDA+U scheme. Structure optimization of preliminary experimental data indicates a strong interaction between the structural and electronic degrees of freedom. In particular, we find a segregation of the diagonal filled stripes induced by a delicate interplay with the magnetic coupling. Beyond the cooperative effect of stripe segregation and spin order, distinct octahedral distortions are essential for the formation of an insulating state. (c) 2009 WILEY-NCH Verlag GmbH & Co. KGaA, Weinheim
引用
收藏
页码：107 / 113
页数：7
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