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Issue 30, 2019
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Defect tolerant and dimension dependent ferromagnetism in MnSe2

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By performing density functional theory-based calculations, we investigate the structural, vibrational, electronic and magnetic properties of 2D monolayers, nanoribbons and quantum dots of MnSe2. Vibrational spectrum analysis reveals the dynamical stability of not only ferromagnetic but also antiferromagnetic phases of single layer MnSe2 crystal structures. Electronically, calculations show that 1T-MnSe2 is a ferromagnetic structure displaying metallic behavior. It is also found that the structure preserves its dynamical stability and metallic behavior even under the presence of high density Se vacancies. Moreover, it was predicted that, differing from the 2D MnSe2, metal–metal interaction driven reconstructions result in ferromagnetic-to-antiferromagnetic crossover in the ground state of nanoribbons and quantum dots. With its robust ferromagnetic metallic character in the 2D ultra-thin limit and dimension-dependent magnetic properties, MnSe2 is an important candidate for spintronic device applications.

Graphical abstract: Defect tolerant and dimension dependent ferromagnetism in MnSe2

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Article information

01 Jun 2019
12 Jul 2019
First published
12 Jul 2019

Phys. Chem. Chem. Phys., 2019,21, 16718-16725
Article type

Defect tolerant and dimension dependent ferromagnetism in MnSe2

I. Eren, F. Iyikanat and H. Sahin, Phys. Chem. Chem. Phys., 2019, 21, 16718
DOI: 10.1039/C9CP03112J

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