First principles study of c-axis strain effect on the magnetic structure and ferroelectricity in double perovskite Y₂MnCrO₆

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• 作者：Lin Hao^a ; ^b ; ¹ ; DingYu Yong^a ; ^b ; ^c ; ¹ ; XiangNan Xie^a ; ^b ; HaoRu Wang^a ; ^b ; GuanKai Lin^a ; ^b ; BiCai Pan^a ; ^b ; ^c ; Hong Zhu^a ; ^b ; ^{zhuh@ustc.edu.cn}
• 关键词：Y2MnCrO6 ; First-principles calculations ; Magnetoelectric coupling ; Lattice strain
• 刊名：Journal of Alloys and Compounds
• 出版年：2017
• 出版时间：25 February 2017
• 年：2017
• 卷：695
• 期：Complete
• 页码：1362-1367
• 全文大小：1265 K
• 卷排序：695

文摘

Strain effects in double perovskite Y2MnCrO6 are theoretically studied. Octahedral distortion is progressively relieved with c-axis tensile strain. Paraelectric to multiferroic phase transition occurs at c-axis strain of −0.3%. Ferrimagnetic to ferromagnetic phase transition occurs at c-axis strain of 2.2%. Electric polarization decreases monotonously with stretching the a-axis.