Zabidi, NANAZabidiAzhan, MZMZAzhanRosli, ANANRosliShrivastava, KNKNShrivastava2024-05-292024-05-2920140094-243X10.1063/1.4866961WOS:000338131900044https://oarep.usim.edu.my/handle/123456789/11275We study the band structure of antiferromagnetic A(x)Fe(2)Se(2) (A = K, Rb) superconductors by using first-principles electronic structure calculations which is density functional theory. In the vicinity of iron-vacancy, we identify the valence electrons of A(x)Fe(2)Se(2) will be filled up to the Fermi level and no semiconducting gap is observed. Hence, the A(x)Fe(2)Se(2) is a metallic instead of semiconducting which leads to superconductivity in the orbital-selective Mott phase. Similarly, there is non-vanishing density of states at the Fermi level.en-USSuperconductivityiron-pnictidedensity-functional theoryband structureProceedings Paper2812851588