The full charge density exact muffin-tin orbitals method has been used to study the stability of lithium-manganese oxides exhibiting different crystallographic allotropes. Calculations have been performed for ferromagnetic and antiferromagnetic phases of LiMnO2 as well as for the phase with local moment disorder. For the ordered LiMnO2 compound we reproduced the correct ground state, the antiferromagnetic orthorhombic structure. The effect of doping LiMnO2 by Co was considered with the aim to predict the stabilization of the layered structure
The spinel-structured lithium manganese oxide (LiMn2O4) is a material currently used as cathode for ...
Downloahough the orthorhombic structure is the actual ground state. A recent tudy from our group12 i...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, ...
Transition-metal (TM) layered oxides have been attracting enormous interests in recent decades becau...
First principles calculations using the local-spin-density-functional theory are presented of densit...
First principles calculations within the local-spin-density-functional theory (LSDFF) framework are ...
First-principles periodic spin-unrestricted Hartree-Fock calculations of C2/m and Pnmn LiMnO2 are re...
LiMnO2 is one of only a few ternary oxides which are known to form in the orthorhombic Pmmn structur...
Data on the antiferromagnetic ordering in orthorhombic lithium manganite LiMnO 2 are obtained from m...
Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 1...
Rietveld refinement of the crystal and magnetic structures of LixMnO2 (x = 0.98, 1.00, 1.02) are per...
A first-principles investigation of the phase stability in the O2-LiCoO2 system is performed to bett...
Co doping on the Mn sublattice of layered LiMnO2 suppresses the Jahn-Teller-driven monoclinic distor...
Co doping on the Mn sublattice of layered LiMnO2 suppresses the Jahn-Teller-driven monoclinic distor...
Li2MnO3 is a critical component in the family of "Li-excess" materials, which are attracting attenti...
The spinel-structured lithium manganese oxide (LiMn2O4) is a material currently used as cathode for ...
Downloahough the orthorhombic structure is the actual ground state. A recent tudy from our group12 i...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, ...
Transition-metal (TM) layered oxides have been attracting enormous interests in recent decades becau...
First principles calculations using the local-spin-density-functional theory are presented of densit...
First principles calculations within the local-spin-density-functional theory (LSDFF) framework are ...
First-principles periodic spin-unrestricted Hartree-Fock calculations of C2/m and Pnmn LiMnO2 are re...
LiMnO2 is one of only a few ternary oxides which are known to form in the orthorhombic Pmmn structur...
Data on the antiferromagnetic ordering in orthorhombic lithium manganite LiMnO 2 are obtained from m...
Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 1...
Rietveld refinement of the crystal and magnetic structures of LixMnO2 (x = 0.98, 1.00, 1.02) are per...
A first-principles investigation of the phase stability in the O2-LiCoO2 system is performed to bett...
Co doping on the Mn sublattice of layered LiMnO2 suppresses the Jahn-Teller-driven monoclinic distor...
Co doping on the Mn sublattice of layered LiMnO2 suppresses the Jahn-Teller-driven monoclinic distor...
Li2MnO3 is a critical component in the family of "Li-excess" materials, which are attracting attenti...
The spinel-structured lithium manganese oxide (LiMn2O4) is a material currently used as cathode for ...
Downloahough the orthorhombic structure is the actual ground state. A recent tudy from our group12 i...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, ...
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