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A New Phase of Two-Dimensional ReS2 Sheet with Tunable Magnetism

Abstract

Two-dimensional (2D) rhenium disulfide crystal is well known to have an in-plane motif of parallel diamond-shaped chains (DT phase), leading to its significant anisotropy in electrical and optical properties, and great potential applications in field-effect transistors, digital converter and photodetectors. On the basis first-principles calculations, here, we report a new distorted phase of 2D ReS2 sheet with tunable magnetic properties. Distinctly different from the well-known diamond-shaped chains structure in DT phase, Re atoms form uniform-distributed trimer in distorted phase (Tri phase). Transition from DT to Tri phase can be induced with either electron doping or lithium atom intercalating. Both phonon spectrum calculations and Born-Oppenheimer molecular dynamic simulation at room temperature confirm the high structural stability of Tri-phase ReS2 sheet. In particular, Tri-phase ReS2 sheet is a bipolar magnetic semiconductor with a bandgap of 1.63 eV by using hybrid HSE06 method, which can be further turned into half metals with ambipolar spin polarization via carrier doping. The estimated Curie temperature of ReS2 sheet with Tri phase is about 157 K, which can be further enhanced to 357 K via carrier doping. Much more interesting, it also owns huge magnetic anistropy energy of 5.716 meV per Re atom due to the direct ferromagnetic coupling between Re atoms. The novel magnetic properties of distorted phase of ReS2 sheet present the potential applicability in nanoscale spintronics with electrical-manipulation of spin-polarization orientation.

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Publication details

The article was received on 20 Nov 2017, accepted on 04 Jan 2018 and first published on 05 Jan 2018


Article type: Paper
DOI: 10.1039/C7TC05303G
Citation: J. Mater. Chem. C, 2018, Accepted Manuscript
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    A New Phase of Two-Dimensional ReS2 Sheet with Tunable Magnetism

    Z. Sun, H. Lv, Z. Zhuo, A. Jalil, W. Zhang, X. Wu and J. Yang, J. Mater. Chem. C, 2018, Accepted Manuscript , DOI: 10.1039/C7TC05303G

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