Thermal properties of (LaMnO3)m/(SrMnO3)n superlattice

✍ Scribed by W.J. Lu; Y. Xie; G.B. Chen; F.L. Tang

• Publisher: Elsevier Science
• Year: 2011
• Tongue: English
• Weight: 565 KB
• Volume: 406
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/j.physb.2011.01.019

✦ Synopsis

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 (LaMnO 3 ) m / (SrMnO 3 ) 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 (LaMnO 3 ) m /(SrMnO 3 ) n superlattice reduce with the increasing of Srdoping concentrations. Debye temperature of (LaMnO 3 ) m /(SrMnO 3 ) 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 LaMnO 3 /SrMnO 3 materials are prepared.