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. 2021 Feb 3;13(6):7188–7199. doi: 10.1021/acsami.0c20539

Figure 6.

Figure 6

Computed formation energies of AlkCu (circle markers) and AlkAg (square markers) in ACIGSe in equilibrium with the AlkInSe2 phase for (a) Alk = Na, (b) Alk = K, (c) Alk = Rb, and (d) Alk = Cs. The abscissa gives AAC values for supercells after substitution of the group-I element with the corresponding alkali. The series of curves represent ACIGSe alloys with different GGI values spanning the full range of compositions with equal intervals.