Structural, electronic and mechanical stability of olivine LiMPO4 (M: Mn, Fe, Co)

被引：0

作者：

Lethole, N. L. ^{[1
]}

Chauke, H. R. ^{[1
]}

Ngoepe, P. E. ^{[1
]}

机构：

[1] Univ Limpopo, Mat Modeling Ctr, ZA-0727 Sovenga, South Africa

来源：

PROCEEDINGS OF SAIP2013: THE 58TH ANNUAL CONFERENCE OF THE SOUTH AFRICAN INSTITUTE OF PHYSICS | 2013年

关键词：

LITHIUM BATTERIES; LICOPO4; COBALT;

D O I：

暂无

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

First-principles calculations used to investigate the structural, thermodynamic, electronic and mechanical stabilities of LiMPO4 crystal structures have been performed. The structural lattice parameters are in good agreement with the available experimental data to within 3 %. The independent elastic constants suggested mechanical stability of LiMPO4 crystal structures. Lastly, the electronic density of states suggested that considered LiMPO4 systems are metallic.

引用

页码：67 / 72

页数：6

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