The Research Of Optical Properties And Magnetic Properties Of Two Dimensional MS₂?M=Pd,Pt?

Two-dimensional transition metal chalcogenides belong to two-dimensional layered materials and are the hotspot materials of international academic and industrial circles in recent years.They have an important feature,that is,they are semiconductors with band gaps,which solves the biggest bottleneck of olefins of graphite.With the deepening of research,people have also found that the band gap can be adjusted with the number of layers.When the physical thickness of the transition metal chalcogenide material is reduced to the thickness of a single layer of two-dimensional material,it will cause changes in electrical properties and optical properties.These properties of transition metal chalcogenides provide a theoretical basis for making new electronic devices.The main research contents of this article are as follows:(1)Calculated the TMD(transition metal chalcogenide)PdS2 nanoribbon system.Focus on the properties of its energy band structure,stability,and magnetic properties.The results show the formation properties,band gap changes,and electron passivation properties of different architectures.It is found that the zigzag nanoribbon structure exhibits metal properties,and the properties of the armchair nanoribbon vary with the width of the nanoribbons.(2)Researched the transition metal chalcogenide(PtS2)single layer structure.The first-principles was used to study the energy,band structure and carrier transport properties of transition metal chalcogenide(PtS2)monolayer structure.It is found that the transitional metal chalcogenide(PtS2)monolayer structure undergoes a band gap transition under uniaxial tensile stress and biaxial stress,and changes from indirect band gap to direct band gap.