Volume 127, Number 4, August 2019
|Number of page(s)||5|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||23 September 2019|
A large enhancement of magnetism in zigzag Janus MoSSe nanoribbons: First-principles calculations
Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University Lanzhou 730000, China and Key Laboratory of Special Function Materials and Structure Design of Ministry of Education, Lanzhou University Lanzhou 730000, China
Received: 24 June 2019
Accepted: 7 August 2019
In this letter, we demonstrate a large enhancement of the magnetic moment in zigzag Janus MoSSe nanoribbons arising from the out-of-plane mirror symmetry breaking. Owing to the broken mirror symmetry, the orbital of the edge Mo atom is tilted and largely overlaps the orbital. As a result, a new band which is nearly completely occupied near the Fermi level emerges, leading to a large spin splitting and so a large magnetic moment in zigzag Janus MoSSe nanoribbons. The results shed new light on the understanding of magnetism correlated to the space symmetry breaking in low-dimensional materials.
PACS: 63.20.dk – First-principles theory / 73.20.-r – Electron states at surfaces and interfaces / 73.21.Cd – Superlattices
© EPLA, 2019
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