2019
DOI: 10.1021/acs.jpclett.9b00970
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High-Temperature Ferromagnetism in an Fe3P Monolayer with a Large Magnetic Anisotropy

Abstract: For the development of high-performance spintronic nanodevices, one of the most urgent and challenging tasks is the preparation of two-dimensional materials with roomtemperature ferromagnetism and a large magnetic anisotropic energy (MAE). Through firstprinciples swarm-intelligence structural search calculations, we identify an ideal ferromagnetic Fe 3 P monolayer, in which Fe atoms show a perfect Kagome lattice, leading to strong in-plane Fe−Fe coupling. The predicted Curie temperature of Fe 3 P reaches ∼420 … Show more

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Cited by 88 publications
(56 citation statements)
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“…In such a manner, one can predict 2D FM materials with Tc over room temperature to develop high-performance spintronic devices. Zheng et al identified an ideal FM Fe3P monolayer, whose Tc reaches ~420 K 1757 . Furthermore, it was reported that a new 2D pentagon-based monolayer, penta-MnN2 displays a high Tc of 913 K that can be further improved to 956 K by biaxial tensile strain 1758 .…”
Section: Curie Temperature Calculationmentioning
confidence: 99%
“…In such a manner, one can predict 2D FM materials with Tc over room temperature to develop high-performance spintronic devices. Zheng et al identified an ideal FM Fe3P monolayer, whose Tc reaches ~420 K 1757 . Furthermore, it was reported that a new 2D pentagon-based monolayer, penta-MnN2 displays a high Tc of 913 K that can be further improved to 956 K by biaxial tensile strain 1758 .…”
Section: Curie Temperature Calculationmentioning
confidence: 99%
“…Possible candidates for such insulating spin systems could be, for example, Fe3P, which has been shown to be of room‐temperature ferromagnetism with a large magnetic anisotropic energy. [ 38 ] These results might find applications in spintronics based on magnetic insulating systems.…”
Section: Resultsmentioning
confidence: 99%
“…The calculations were based on density functional theory [22,23] in which the ground state properties of a many-electron system are determined by an electron density with three spatial coordinates instead of N electrons with 3N spatial coordinates many-body problem, and performed using the plane-wave pseudopotential Vienna ab initio Simulation Package [24][25][26], which is a well-tested code and has been successfully used to calculate a great variety of materials [17][18][19][27][28][29][30]. The generalized gradient approximation [31] was used for the exchange-correlation functional, which was formulated by Perdew, Burke, and Ernzerhof (GGA-PBE).…”
Section: Methodsmentioning
confidence: 99%