Prediction of room-temperature multiferroicity in strained MoCr2S6 monolayer

Liu, Li-Zhe; Jin, Kyung-Hwan; Liu, Feng

doi:10.1063/1.5144535

Prediction of room-temperature multiferroicity in strained MoCr₂S₆ monolayer

Journal Article · Tue Apr 21 00:00:00 EDT 2020 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5144535· OSTI ID:1800195

^[1]; ^[2]; Liu, Feng ^[2]

Nanjing Univ. (China); Univ. of Utah, Salt Lake City, UT (United States); OSTI
Univ. of Utah, Salt Lake City, UT (United States)

The contrasting d-orbital occupation required for ferroelectricity vs ferromagnetism makes it difficult for their coexistence in two-dimensional materials, especially at high temperature. To resolve this intrinsic contradiction, we propose a layered MoCr₂S₆ multiferroics by alloying magnetic Cr element into the ferroelectric 1T phase of the MoS₂ matrix. First-principles calculations disclose that a spontaneous symmetry breaking, depending on the Mo atom displacement, leads to a robust ferroelectricity, which coexists with a ferromagnetic order originated from two neighboring Cr atoms. The effect can be further enhanced by tensile strain to bring about a room-temperature multiferroicity. Our results shed new light on the fundamental understanding of multiferroics and display promising applications in spintronics and multistate data storage.

View Accepted Manuscript (DOE)

Research Organization:: University of Utah, Salt Lake City, UT (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: FG02-04ER46148

OSTI ID:: 1800195

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 15 Vol. 127; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Prediction of room-temperature multiferroicity in strained MoCr2S6 monolayer

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Prediction of room-temperature multiferroicity in strained MoCr₂S₆ monolayer