First-Principle Calculations of Fundamental Properties of AgGaTe2, AgInTe2 and Their Mixed Crystals AgIn1–xGaxTe2

JOURNAL OF NANOELECTRONICS AND OPTOELECTRONICS, pp. 1214-1221, 2018.

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Abstract:

In this work, we studied the structural, electronic, elastic and thermodynamic properties of the ternary AgGaTe2 and AgInTe2 chalcopyrite semiconductors and their mixed crystals AgIn1-xGaxTe2 using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The optimized equilibrium structur...More

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