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

We have systematically investigated the effects of different vacancy defects in 2D d 0 materials SnS 2 and ZrS 2 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 μ B ) in these...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2016-03, Vol.18 (1), p.7163-7168
Hauptverfasser:	Ao, L, Pham, A, Xiao, H. Y, Zu, X. T, Li, S
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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