Abstract
Electronic and magnetic structures of the spinel-type lithium–manganese oxides Li x Mn 2O 4, x=0,0.5,1, are studied ab initio by employing a full-potential LMTO method. The effect of the orthorhombic distortion on electronic structure and magnetism of LiMn 2O 4 was investigated, and our calculations do not show a substantial charge ordering at the structural transition from the cubic spinel to the orthorhombic structure.
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