Magnetism and structure of LixCoO2 and comparison to NaxCoO2

被引：126

作者：

Hertz, J. T. ^{[1
]}

Huang, Q. ^{[2
]}

McQueen, T. ^{[1
]}

Klimczuk, T. ^{[3
,4
]}

Bos, J. W. G. ^{[5
,6
]}

Viciu, L. ^{[1
]}

Cava, R. J. ^{[1
]}

机构：

[1] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA

[2] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA

[3] Los Alamos Natl Lab, Div Thermal Phys, Los Alamos, NM 87545 USA

[4] Gdansk Univ Technol, Fac Appl Phys & Math, PL-80952 Gdansk, Poland

[5] Univ Edinburgh, Sch Chem, Edinburgh EH9 3JJ, Midlothian, Scotland

[6] Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3JJ, Midlothian, Scotland

来源：

PHYSICAL REVIEW B | 2008年 / 77卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.77.075119

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The magnetic properties and structure of LixCoO2 for 0.5 < x < 1.0 are reported. Co4+ is found to be high spin in LixCoO2 for 0.94 <= x <= 1.00 and low spin for 0.50 <= x <= 0.78. Weak antiferromagnetic coupling is observed, and at x approximate to 0.65 the temperature-independent contribution to the magnetic susceptibility and the electronic contribution to the specific heat are largest. Neutron diffraction analysis reveals that the lithium oxide layer expands perpendicular to the basal plane and the Li ions displace from their ideal octahedral sites with decreasing x. Comparison of the structures of NaxCoO2 and LixCoO2 reveals that the CoO2 layer changes substantially with alkali content in the former but is relatively rigid in the latter, and that the CoO6 octahedra in LixCoO2 are less distorted.

引用

页数：12

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