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Thermodynamics of the Formation of Ti- and Cr-doped CuGaS2 Intermediate-band Photovoltaic Materials

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Figure

Figure 1. Basic unit cell used in the simulations of CuGaSi with M  atoms substituting Ga
Figure 4. Total free energy balance, including total energy, config- config-uration entropy, and vibration terms, computed for the formation  processes (from the simpler compounds indicated in the text, as in  processes  1 - 3 ) of (A) CuGa1-.vTi.vS2
Figure 5. Thermodynamic concentration limits of Ti and Cr in the  Ga positions of CuGaSi at different temperatures, estimated from the  relation  A F t o t = 0 applied to the data represented in Figure 4

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