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Prediction of Strong Converse Magnetoelectric Effect in Nb‐Doped BaTiO 3 ‐Based Polar Metals
Author(s) -
Li Gang,
Liu Yulin,
Wang Wei,
Xiao Yongguang,
Tang Minghua,
Li Zheng
Publication year - 2021
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.202000520
Subject(s) - magnetic moment , condensed matter physics , atomic orbital , materials science , magnetism , density functional theory , ferroelectricity , atom (system on chip) , doping , polarization (electrochemistry) , electron , physics , chemistry , dielectric , quantum mechanics , optoelectronics , computer science , embedded system
The origin of the converse magnetoelectric (CME) effect in the Nb‐doped BaTiO 3 (NBTO) polar metal is investigated by density functional theory. Unlike the Fe doping system, where the magnetic moment is chiefly contributed by e g orbitals of the Fe atom, the magnetic moment of the NBTO system is mainly contributed by the d xz / d yz orbitals of Ti (Nb) atoms and highly depends on the polarization intensity. When the in‐plane compressive strain η ≤ −2%, the magnetic moment of the NBTO system is zero because electrons predominantly occupy the d xy orbitals. However, the switching process of the ferroelectric polarization induces a strong CME effect with significant magnetic moment changes. Especially, the magnetic moment changes in the NBTO system with the compressive strain η ≤ −2%, which is dozens of times of that of the unstrained NBTO system. These results are useful for designing new ultrafast and low‐power information storage devices with remarkable electrically controlled magnetism.