A first-principles study on the magnetoelectric coupling induced by Fe in a two-dimensional BaTiO 3 (001) ultrathin film

A first-principles approach is utilized to study the magnetoelectric coupling induced by Fe in two-dimensional BaTiO 3 (001) ultrathin film. It is observed that the Fe impurity increases the total magnetic moment but suppresses the spontaneous polarization. Furthermore, the total magnetic moment of...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2020-09, Vol.22 (33), p.18284-18293
Hauptverfasser:	Gao, Haigen, Lin, Tongzheng, Yan, Yunjuan, Fu, Kang, Liu, Yande, Liu, Xiaolong
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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