Fig. 5
From: Adsorption of Transition Metals on Black Phosphorene: a First-Principles Study
Spin densities of the a O2-(Fe-phosphorene), b O2-(Co-phosphorene), c O2-(Ni-phosphorene), d O2-(Cu-phosphorene), e O2-(Ir-phosphorene), f O2-(Rh-phosphorene), g O2-(Ag-phosphorene), and h O2-(Au-phosphorene) systems are shown in the top row; the corresponding band structure of each system is shown in the bottom row. In the top row, a plot of the spin-polarized charge density with a charge density iso-surface value of 0.002 e/Å3 is superimposed on the top and side views of the crystal structure of pristine phosphorene; the yellow and cyan regions correspond to up and down spins, respectively. In the plots of band structures, the black and the red lines denote spin-up and spin-down channels, respectively; the Fermi level is set to zero, and it is indicated by the gray dashed line