出版商 WORLD SCIENTIFIC PUBL CO PTE LTD, 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE
ISSN: 0217-9792 eISSN: 1793-6578
研究领域 Physics
摘要
Based on first-principles calculations and thermodynamic stability analysis, we find that MnSnO3 and MgSnO3 could be synthesized under restricted condition, as their bulk phases are stable in a limited chemical potential range with respect to the competing phases. It is also found that FeSnO3 and ZnSnO3 are unstable under thermodynamic equilibrium conditions. Electronic structure calculations suggest that the hybridization between TM (transition metal) and O could play important roles for magnetoelectric properties in the XSnO3 (X = Mn, Zn, Fe), while the hybridization between Sn and O dominates in MgSnO3.
