Engineering the electronic and magnetic properties of d(0) 2D dichalcogenide materials through vacancy doping and lattice strains

Physical Chemistry Chemical Physics : PCCP
L AoS Li

Abstract

We have systematically investigated the effects of different vacancy defects in 2D d(0) materials SnS2 and ZrS2 using first principles calculations. The theoretical results show that the single cation vacancy and the vacancy complex like V-SnS6 can induce large magnetic moments (3-4 μB) in these single layer materials. Other defects, such as V-SnS3, V-S, V-ZrS3 and V-ZrS6, can result in n-type conductivity. In addition, the ab initio studies also reveal that the magnetic and conductive properties from the cation vacancy and the defect complex V-SnS6 can be modified using the compressive/tensile strain of the in-plane lattices. Specifically, the V-Zr doped ZrS2 monolayer can be tuned from a ferromagnetic semiconductor to a metallic/half-metallic material with decreasing/increasing magnetic moments depending on the external compressive/tensile strains. On the other hand, the semiconducting and magnetic properties of V-Sn doped SnS2 is preserved under different lattice compression and tension. For the defect complex like V-SnS6, only the lattice compression can tune the magnetic moments in SnS2. As a result, by manipulating the fabrication parameters, the magnetic and conductive properties of SnS2 and ZrS2 can be tuned without the...Continue Reading

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Mar 17, 2010·Nano Letters·Andrea SplendianiFeng Wang
Aug 3, 2011·Physical Chemistry Chemical Physics : PCCP·Yandong MaBaibiao Huang
Jun 9, 2012·Advanced Materials·Dattatray J LateVinayak P Dravid
Aug 7, 2012·Physical Review Letters·Hannu-Pekka KomsaArkady V Krasheninnikov
Oct 13, 2012·ACS Nano·Yungang ZhouFei Gao
May 11, 2013·Nano Letters·Wu ZhouJuan-Carlos Idrobo
Aug 12, 2014·Physical Chemistry Chemical Physics : PCCP·Congxin XiaYu Jia
Jan 30, 2015·ACS Applied Materials & Interfaces·Zhixiao LiuPartha P Mukherjee
Mar 27, 2015·Physical Chemistry Chemical Physics : PCCP·L AoX T Zu
May 23, 2015·Journal of the American Chemical Society·Mei ZhangLiming Xie

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Citations

Apr 23, 2016·Journal of the American Chemical Society·Alex P GaidukGiulia Galli
Dec 20, 2018·Physical Chemistry Chemical Physics : PCCP·A DabralG Pourtois
Mar 12, 2021·Physical Chemistry Chemical Physics : PCCP·Long LinZhanying Zhang

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