The Stability of Orthorhombic and Monoclinic-Layered LiMnO2
نویسندگان
چکیده
LiMnO2 is one of only a few ternary oxides which are known to form in the orthorhombic Pmmn structure. The layered α-NaFeO2 structure, favored for application as a Li-insertion electrode, is found in many other alkali transition metal oxides. We find that the the strong antiferromagnetic interactions between Mn+3 ions contribute to the stabilization of the orthorhombic structure. Using first-principles pseudopotential calculations, we find that doping with Al, Co, Cr, V, Ti, Mo, Mg, Nb, Zn, and Pd helps stabilize the layered structure over the orthorhombic structure. © 1999 The Electrochemical Society. S1099-0062(99)06-081-2. All rights reserved.
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