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

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arxiv 2104.07804 v1 pith:XOUMI5ON submitted 2021-04-15 cond-mat.mtrl-sci cond-mat.mes-hall

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

classification cond-mat.mtrl-sci cond-mat.mes-hall
keywords ferromagnetismtransitioncota2o6defectengineeredmagneticquasi-two-dimensionalroom-temperature
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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.

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