“…The relaxed lattice constant of CuI, AgI, Cu 2 BrI, and Ag 2 BrI monolayers according to the PBEsol functional is predicted to be 4.059, 4.402, 3.962, and 4.326 Å, respectively. Based on experimental tests [19], the distances between the Cu atomic planes and the Cu-I bond lengths along the in-plane and out-of-plane directions are 1.63±0.35, 2.67±0.16, and 2.55±0.49 Å, respectively, which are in good agreement with the corresponding values of 1.345, 2.642 and 2.566 Å, respectively.…”