Biaxial strain effect on the electronic and magnetic phase transitions in double perovskite La2FeMnO6: A first-principles study

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[1] Qian, Yan
[2] Wu, Haiping
[3] Kan, Erjun
[4] Lu, Jian
[5] Lu, Ruifeng
[6] Liu, Yuzhen
[7] Tan, Weishi
[8] Xiao, Chuanyun
[9] Deng, Kaiming
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Qian, Y. (qianyan@mail.njust.edu.cn) | 1600年 / American Institute of Physics Inc.卷 / 114期
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The influence of biaxial strain on both the electronic and magnetic properties in double perovskite La2FeMnO6 is investigated by using density-functional calculations. The results show that La 2FeMnO6 exhibits ferromagnetic semiconductor at ambient condition and turns into ferromagnetic half-metal under the whole tensile strain applied in this work; while the compound transfers into ferromagnetic metal under the compressive strain within -8% and into ferrimagnetic semiconductor with the compressive strain beyond -9%. For both ferromagnetic half-metallic and metallic La2FeMnO6; they exhibit very slight change in the electronic states and magnetic moments of the ions; comparing with those of the compound at ambient condition. The electronic configurations of Fe and Mn originating from the high-spin state Fe3+ and intermediate-spin state Mn3+ in ferromagnetic La2FeMnO6 emerge in the low-spin state and high-spin state in ferrimagnetic La2FeMnO 6; respectively; when the compressive strain is beyond -9%. © 2013 AIP Publishing LLC;
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