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Mott Metal-Insulator Transitions in Pressurized Layered Trichalcogenides

Mott Metal-Insulator Transitions in Pressurized Layered Trichalcogenides

Transition metal phosphorous trichalcogenides, MPX_{3} (M and X being transition metal and chalcogen elements, respectively), have been the focus of substantial interest recently because they are unusual candidates undergoing Mott transition in the two-dimensional limit. Here we investigate material properties of the compounds with M=Mn and Ni employing ab initio …