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The stability of atomic intercalated boron nitride K4 crystal structures, XBN(X=H, Li, Be, B, C, N, O, F, Na, Mg, Al, Si, P, S, Cl, K, Ca, Ga, Ge, As, Se,Br, Rb or Sr) is evaluated by the geometric optimization and frozen phononcalculations based on the first principles calculations. NaBN, MgBN, GaBN, FBNand ClBN are found to be stable. NaBN, GaBN, FBN and ClBN are metallic, whereasMgBN is semiconducting.

Properties of atomic intercalated boron nitride K4 type crystals