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• W2092966236 abstract "Abstract Classical atomistic simulations based on the lattice dynamics theory and Born core–shell model were performed to systematically study the crystal structure and thermal properties of (LaMnO3)m/(SrMnO3)n superlattice. We calculate thermal properties such as the coefficient of thermal expansion, phonon density of states, specific heat and Debye temperature at different temperatures and for different Sr-doping concentrations. It is found that the lattice constants b and c of superlattice increase, but a reduces as the temperature increases. Both the specific heat of constant volume and the coefficient of thermal expansion of (LaMnO3)m/(SrMnO3)n superlattice reduce with the increasing of Sr-doping concentrations. Debye temperature of (LaMnO3)m/(SrMnO3)n superlattice increases from about 630 to 800 K when Sr-doping concentration increases from 0 to 3 4 . Some simulation results correspond with experimental data, and we anticipate that our results will be helpful to select the base on which LaMnO3/SrMnO3 materials are prepared." @default.
• W2092966236 created "2016-06-24" @default.
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• W2092966236 date "2011-03-01" @default.
• W2092966236 modified "2023-09-29" @default.
• W2092966236 title "Thermal properties of (LaMnO3)m/(SrMnO3)n superlattice" @default.
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• W2092966236 doi "https://doi.org/10.1016/j.physb.2011.01.019" @default.
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