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- W1537112622 abstract "First principles calculations using the local-spin-density-functional theory are presented of densities of electronic states for MnO, LiMnO{sub 2} in the monoclinic and orthorhombic structures, cubic LiMn{sub 2}O{sub 4} spinel, and {lambda}-MnO{sub 2} (delithiated spinel), all in antiferromagnetic spin configurations. The changes in energy spectra as the Mn oxidation state varies between 2+ and 4+ are illustrated. Preliminary calculations for Co-doped LiMnO{sub 2} are presented, and the destabilization of a monoclinic relative to a rhombohedral structure is discussed." @default.
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- W1537112622 date "1998-12-22" @default.
- W1537112622 modified "2023-09-25" @default.
- W1537112622 title "First principles calculations for litiated manganese oxides" @default.
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