Electronic band structure and Madelung potential study of the nickelates La2NiO4, La3Ni2O7, and La4Ni3O10

被引：36

作者：

Seo, DK ^{[1
]}

Liang, W ^{[1
]}

Whangbo, MH ^{[1
]}

Zhang, Z ^{[1
]}

Greenblatt, M ^{[1
]}

机构：

[1] RUTGERS STATE UNIV,DEPT CHEM,PISCATAWAY,NJ 08855

来源：

INORGANIC CHEMISTRY | 1996年 / 35卷 / 22期

关键词：

D O I：

10.1021/ic960379j

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Tight-binding electronic band structures and Madelung potentials were calculated for La2NiO4, La3Ni2O7, and La4Ni3O10 to examine why a metal-to-metal transition occurs in the nickelate Ln(4)Ni(3)O(10) (Ln = Ea, Nd, Pr). La4Ni3O10 and La3Ni2O7 are each found to have two hidden one-dimensional (1D) Fermi surfaces, which suggests that both compounds should possess a charge density wave instability. Factors leading to hidden 1D Fermi surfaces in the e(g), block bands of the nickelates were discussed.

引用

收藏

页码：6396 / 6400

页数：5

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