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The layered transition metal oxides formulated LiMO2 (M: Mn, Ni and Co) are a state-of-art cathode material for lithium-ion batteries. They have attracted considerable attention due to their capability to optimize the capacity, cyclic rate, electrochemical stability, and lifetime. This paper reports the DFT+U calculations performed on LiMnO2, LiNiO2 and LiCoO2 materials. The heats of formations predict that the LiNiO2 is the most thermodynamically stable material while the LiMnO2 is the least thermodynamically stable material. The energy bandgap for LiNiO2 is relatively small suggesting that the material is high in conductivity. Conversely, the energy bandgaps of LiMnO2 and LiCoO2 are relatively wide suggesting that the materials are low in electrical conductivity. All independent elastic constants are positive and satisfying the mechanical stability criterion. Lastly, the phonon dispersion curves display imaginary vibration along high symmetry direction for LiCoO2. However, the material is inferred stable with support from the elastic constants. The LiNiO2 is the most stable material and LiCoO2 is the least stable material.

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