High-Tcsuperconductivity in doped molecular superconductors ofK4B8-xMxH32(M = C, N) under high pressure.

Stabilized and metallic light elements hydrides have provided a potential route to achieve the goal of room-temperature superconductors at moderate or ambient pressures. Here, we have performed systematic DFT theoretical calculations to examine the effects of different light elements C and N atoms doped in cubic KBHhydrides on the superconductivity at low pressures. As a result of various atoms substituting, we have found that metallic KB_{8-x}MH(M = C, N) hydrides are dynamically stable at 50 GPa, band structures and density of states (DOS) indicate that sizeableTccorrelates with a high B-H DOS at the Fermi level.