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The electronic and magnetic properties of bulk and (1 1 1) surfaces for MP(M=K ans Rb) in rocksalt structure have been investigated by employingfirst-principle calculations. The results reveal that the compounds arehalf-metallic ferromagnets at the equilibrium lattice constants with largehalf-metallic band gaps of 0.46 and 0.74 eV. The (111) surfaces of KP and RbPkeep their bulk half-metallic property. We study the stabilities of the bulkcompounds and their (1 1 1) surfaces as well.

First-principle study on bulk and (1 1 1) surface of MP (M=K and Rb) in rocksalt structure