Edge Magnetism in MoS Nanoribbons: Insights from a Simple One-Dimensional Model
Overview
Overview
Authors
Affiliations
Affiliations
Soon will be listed here.
Abstract
Edge magnetism in zigzag nanoribbons of monolayer MoS2 has been investigated with both density functional theory and a tight-binding plus Hubbard (TB+) Hamiltonian. Both methods revealed that one band crossing the Fermi level is more strongly influenced by spin polarization than any other bands. This band originates from states localized on the sulfur edge of the nanoribbon. Its dispersion closely resembles that of the energy branch obtained in a linear chain of atoms with first-neighbor interaction. By exploiting this resemblance, a toy model has been designed to study the energetics of different spin configurations of the nanoribbon edge.
References
1.
Deng X, Li Z, Yang J
. One-Dimensional Magnetic Order Stabilized in Edge-Reconstructed MoS Nanoribbon via Bias Voltage. J Phys Chem Lett. 2020; 11(18):7531-7535.
DOI: 10.1021/acs.jpclett.0c02302.
View
2.
LIEB
. Two theorems on the Hubbard model. Phys Rev Lett. 1989; 62(10):1201-1204.
DOI: 10.1103/PhysRevLett.62.1201.
View
3.
Qi R, Wang S, Wang M, Liu W, Yan Z, Bi X
. Towards well-defined MoS nanoribbons on a large scale. Chem Commun (Camb). 2017; 53(70):9757-9760.
DOI: 10.1039/c7cc04647b.
View
4.
Yin X, Tang C, Zheng Y, Gao J, Wu J, Zhang H
. Recent developments in 2D transition metal dichalcogenides: phase transition and applications of the (quasi-)metallic phases. Chem Soc Rev. 2021; 50(18):10087-10115.
DOI: 10.1039/d1cs00236h.
View
5.
Cui P, Choi J, Chen W, Zeng J, Shih C, Li Z
. Contrasting Structural Reconstructions, Electronic Properties, and Magnetic Orderings along Different Edges of Zigzag Transition Metal Dichalcogenide Nanoribbons. Nano Lett. 2016; 17(2):1097-1101.
DOI: 10.1021/acs.nanolett.6b04638.
View