Structural, electronic and mechanical properties of AgIn1−XGaXS2 (X = 0, 0.25, 0.50, 0.75, 1) chalcogenides

The structural, electronic and mechanical properties of AgIn 1−X Ga X S 2 (X = 0, 0.25, 0.50, 0.75, 1) chalcogenides are investigated. The crystal structure of ternary semiconductors is the chalcopyrite structure with space group I 4 ¯ 2 d . In this work, first principles calculations are carried ou...

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