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arXiv 2104.07804cond-mat.mtrl-scicond-mat.mes-hall
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准二维氮化CoTa2O6中的缺陷工程室温铁磁性

Defect Engineered Room-Temperature Ferromagnetism in Quasi-Two-Dimensional Nitrided CoTa2O6

Yalin Ma, Shuang Zhao, Xiao Zhou, Yijie Zeng, Haili Song, Jing Wang, Guangqin Li, Corey E. Frank, Lu Ma, Mark Croft, Yonggang Wang, Martha Greenblatt, Dao-Xin Yao, Man-Rong Li

摘要:

准二维CoTa 2 O 6的热氨解反应得到了O2-/N3-和阴离子空位有序的Co2+ Ta 5 + 2 O 6-xN 2x/3 $\Box$ x/3(x $\leq$ 0.15),其表现出从反铁磁性到室温铁磁性以上的缺陷设计的转变,这一点通过衍射、光谱和磁性表征得到了证实。第一性原理计算揭示了铁磁性的起源是一种特殊的CoON组态,N位于Wyckoff位置8 j,打破了ab平面的镜像对称性。压力诱导的电子相变也被预测在24.5 GPa左右,伴随着绝缘体到金属的转变和磁矩消失。

英文摘要:

Thermal ammonolysis of quasi-two-dimensional (quasi-2D) CoTa2O6 yields the O2-/N3- and anionic vacancy ordered Co2+Ta5+2O6-xN2x/3$\Box$x/3 (x $\leq$ 0.15) that exhibits a transition from antiferromagnetism to defect engineered above room-temperature ferromagnetism as evidenced by diffraction, spectroscopic and magnetic characterizations. First-principles calculations reveal the origin of ferromagnetism is a particular CoON configuration with N located at Wyckoff position 8j, which breaks mirror symmetry about ab plane. A pressure-induced electronic phase transition is also predicted at around 24.5 GPa, accompanied by insulator-to-metal transition and magnetic moment vanishing.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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