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Prediction of new stable crystal structures for ternary ErAgTe2 and YAgTe2 semiconductors: Ab initio study
(Elsevier Masson s.r.l., 2023)
The crystal structure, electronic, mechanical, and phonon properties of rare-earth ErAgTe2 and YAgTe2 compounds have been investigated using first-principles calculations based on density functional theory. We consider ...