Charge ordering in Ni1+/Ni2+ nickelates: La4Ni3O8 and La3Ni2O6

被引：45

作者：

Botana, Antia S. ^{[1
]}

Pardo, Victor ^{[2
,3
]}

Pickett, Warren E. ^{[4
]}

Norman, Michael R. ^{[1
]}

机构：

[1] Argonne Natl Lab, Materials Sci Div, Argonne, IL 60439 USA

[2] Univ Santiago Compostela, Dept Fis Aplicada, E-15782 Santiago De Compostela, Spain

[3] Univ Santiago Compostela, Inst Invest Tecnol, E-15782 Santiago De Compostela, Spain

[4] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA

来源：

PHYSICAL REVIEW B | 2016年 / 94卷 / 08期

关键词：

ND;

D O I：

10.1103/PhysRevB.94.081105

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Ab initio calculations allow us to establish a close connection between the Ruddlesden-Popper layered nickelates and cuprates not only in terms of filling of d levels (close to d(9)) but also because they show Ni1+(S = 1/2)/Ni2+(S = 0) stripe ordering. The insulating charge-ordered ground state is obtained from a combination of structural distortions and magnetic order. The Ni2+ ions are in a low-spin configuration (S = 0) yielding an antiferromagnetic arrangement of Ni1+ S = 1/2 ions like the long-sought spin-1/2 antiferromagnetic insulator analog of the cuprate parent materials. The analogy extends further with the main contribution to the bands near the Fermi energy coming from hybridized Ni d(x2-y2) and O p states.

引用

页数：5

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