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A Symmetry-Breaking Phase in Two-Dimensional FeTe2 with Ferromagnetism above Room Temperature.
The Journal of Physical Chemistry Letters ( IF 5.7 ) Pub Date : 2020-08-12 , DOI: 10.1021/acs.jpclett.0c01911
Liang Liu 1, 2 , Songsong Chen 1 , Zezhou Lin 1 , Xi Zhang 1
Affiliation  

Recently, ferromagnetism observed in monolayer two-dimensional (2D) materials has attracted attention due to the promise of its application in next-generation spintronics. Here, we predict a symmetry-breaking phase in 2D FeTe2 that differs from conventional transition metal ditellurides shows superior stability and room-temperature ferromagnetism. Through density functional theory calculations, we find the exchange interactions in FeTe2 consist of short-range superexchange and long-range oscillatory exchanges mediated by itinerant electrons. For six nearest neighbors, the exchange constants are calculated to be 50.95, 33.41, 2.70, 11.02, 14.46, and −4.12 meV. Furthermore, the strong relativistic effects on Te2+ induce giant out-of-plane exchange anisotropy and open up a significantly large spin wave gap (ΔSW) of 1.22 meV. All of this leads to robust ferromagnetism with the Tc surpassing 423 K, which is predicted by the renormalization group Monte Carlo method, sufficiently higher than room temperature. Our findings shed light on the promising future of FeTe2 in 2D magnetic research and spintronic applications.

中文翻译:

室温下具有铁磁性的二维FeTe2中的对称破坏相。

近年来,由于有望在下一代自旋电子学中应用,在单层二维(2D)材料中观察到的铁磁性引起了关注。在这里,我们预测2D FeTe 2中的对称断裂相与传统的过渡金属二碲化物不同,它表现出优异的稳定性和室温铁磁性。通过密度泛函理论计算,我们发现FeTe 2中的交换相互作用包括短时超交换和流动电子介导的长时振荡交换。对于六个最近的邻居,交换常数计算为50.95、33.41、2.70、11.02、14.46和-4.12 meV。此外,对Te 2+有很强的相对论效应诱导出的平面巨交换各向异性,开辟显著大的自旋波的间隙(Δ SW 1.22兆电子伏的)。所有这些导致铁磁性强健,T c超过423 K,这是通过重归一化群蒙特卡罗方法预测的,远远高于室温。我们的发现揭示了FeTe 2在2D磁性研究和自旋电子学应用中的广阔前景。
更新日期:2020-09-18
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