Electronic and magnetic properties of single-layer<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>M</mml:mi><mml:mi mathvariant="normal">P</mml:mi><mml:msub><mml:mi>X</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>metal phosphorous trichalcogenides
Electronic and magnetic properties of single-layer<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>M</mml:mi><mml:mi mathvariant="normal">P</mml:mi><mml:msub><mml:mi>X</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>metal phosphorous trichalcogenides
We survey the electronic structure and magnetic properties of two-dimensional (2D) $M\mathrm{P}{X}_{3}$ ($M=\text{V},\text{Cr},\text{Mn},\text{Fe},\text{Co},\text{Ni},\text{Cu},\text{Zn}$, and $X=\text{S},\text{Se},\text{Te}$) transition-metal chalcogenophosphates to shed light on their potential role as single-layer van der Waals materials that possess magnetic order. Our ab initio calculations predict that most of these single-layer materials are antiferromagnetic semiconductors. The band …