Journal
NANO RESEARCH
Volume 15, Issue 2, Pages 1486-1491Publisher
TSINGHUA UNIV PRESS
DOI: 10.1007/s12274-021-3692-5
Keywords
first-principles; puckered pentagonal; VTe2; ferromagnetic semiconductor; ferroelasticity
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Funding
- National Key Research and Development Program of China [2020YFA0308800, 2016YFA0202300, 2016YFA0300902]
- National Natural Science Foundation of China [91850120, 11974045]
- Strategic Priority Research Program (B) of CAS [XDB30000000]
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This study introduces a novel monolayer magnetic crystal named PP-VTe2, which exhibits strong intrinsic ferromagnetism and semiconductor properties, along with unusual magnetic anisotropy and multiferroic coupling.
Two-dimensional (2D) magnetic crystals have been extensively explored thanks to their potential applications in spintronics, valleytronics, and topological superconductivity. Here we report a novel monolayer magnet, namely puckered pentagonal VTe2 (PP-VTe2), intriguing atomic and electronic structures of which were firmly validated from first-principles calculations. The PP-VTe2 exhibits strong intrinsic ferromagnetism and semiconducting property distinct from the half-metallic bulk pyrite VTe2 (BP-VTe2) phase. An unusual magnetic anisotropy with large magnetic exchange energies is found. More interestingly, the multiferroic coupling between its 2D ferroelasticity and in-plane magnetization is further identified in PP-VTe2, lending it unprecedented controllability with external strains and electric fields. Serving as an emergent 2D ferromagnetic semiconductor with a novel crystal structure, monolayer PP-VTe2 provides an ideal platform for exploring exotic crystalline and spin configurations in low-dimensional systems.
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