Abstract
The magnetism of a free-standing tungsten monoatomic sheet under different magnetization states has been studied by using the first-principles method based on the density functional theory. The results show that W atomic sheet at the equilibrium state is not magnetized. However, ferromagnetic or antiferromagnetic state can appear in the sheet when the lattice is elongated, moreover, the magnetism appears earlier and increases more stably and smoothly in the antiferromagnetic states than the ferromagnetic one. The antiferromagnetic states are always more stable than the ferromagnetic ones under the same lattice parameter. The most stable W atomic sheet among all the structures studied is a near-hexagonal plane structure, due to the Jahn–Teller effect. All the magnetic states studied are shown to be metallic. The electronic structure properties of various magnetic plane structures are presented, with the effect of spin–orbit coupling included.
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