Fig. 2
From: Adsorption of Transition Metals on Black Phosphorene: a First-Principles Study
Spin densities of the a Fe-phosphorene, b Co-phosphorene, and c Au-phosphorene systems are shown in the top row; the corresponding band structure of each system is shown at the bottom row. The black and red spheres represent P and TM atoms, respectively. 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 for each of the TM-phosphorene systems; the yellow and cyan regions correspond to the up and down spins, respectively. In the plot of band structures (bottom row), 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