Fe3O4 surface electronic structures and stability from GGAÂ +Â U

► The structure, stability and magnetic property of Fe3O4 have been computed. ► The Fe3O4 surface has the stability order of (111) > (001) > (110). ► Fe3O4(111) has the most stable tetrahedral Fe and octahedral Fe terminations. ► Fe3O4(110) has A-layer (Fetet) and B-layer (Fetet and Feoct) terminations. ► Fe3O4(001) has A-layer (Fetet and Feoct) and B-layer (Fetet) terminations.