Prediction of monolayer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Fe</mml:mi><mml:msub><mml:mi mathvariant="normal">P</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math> with intrinsic half-metal ferrimagnetism above room temperature

نویسندگان

چکیده

The design of high-temperature ferrimagnetic materials is highly demanded for next-generation functional spintronic devices. Here, we propose that the combination nonmetallic structural units and magnetic atoms an effective way to achieve magnetism in two-dimensional (2D) materials. predicted $\mathrm{Fe}{\mathrm{P}}_{4}$ monolayer, consisting quasisquare ${\mathrm{P}}_{4}$ units, shows intrinsic half-metal ferrimagnetism above room temperature. Each Fe atom coordinated with four P associated surrounding units. First-principles calculations suggest monolayer presents a Curie temperature 460 K. More interestingly, itinerant electrons unique act as intermediaries play important role promoting Ruderman-Kittel-Kasuya-Yosida superexchange interactions, respectively, which induces robust ferrimagnetism. Our findings not only shed light on promising future 2D materials, but also are interest applications.

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ژورنال

عنوان ژورنال: Physical review

سال: 2023

ISSN: ['0556-2813', '1538-4497', '1089-490X']

DOI: https://doi.org/10.1103/physrevb.107.024414