Two-dimensional bipolar magnetic semiconductors with high Curie-temperature and electrically controllable spin polarization realized in exfoliated Cr(pyrazine)2 monolayers

نویسندگان

چکیده

Exploring two-dimensional (2D) magnetic semiconductors with room temperature ordering and electrically controllable spin polarization is a highly desirable but challenging task for nanospintronics. Here, through first principles calculations, we propose to realize such material by exfoliating the recently synthesized organometallic layered crystal Li$_{0.7}$[Cr(pyz)$_2$]Cl$_{0.7}$0.25$\cdot$(THF) (pyz = pyrazine, THF tetrahydrofuran) [Science 370, 587 (2020)]. The feasibility of exfoliation confirmed rather low energy 0.27 J/m$^2$, even smaller than that graphite. In exfoliated Cr(pyz)$_2$ monolayer, each pyrazine ring grabs one electron from Cr atom become radical anion, then strong $d$-$p$ direct exchange interaction emerges between cations radicals, resulting in ferrimagnetism Curie 342 K. Moreover, monolayer revealed be an intrinsic bipolar semiconductor where electrical doping can induce half-metallic conduction spin-polarization direction.

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ژورنال

عنوان ژورنال: Science China-chemistry

سال: 2021

ISSN: ['1869-1870', '1674-7291']

DOI: https://doi.org/10.1007/s11426-021-1160-7