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Determining ideal strength and failure mechanism of thermoelectric CuInTe 2 through quantum mechanics
(Royal Society of Chemistry, 2018)
CuInTe2 is recognized as a promising thermoelectric material in the moderate temperature range, but its mechanical properties important for engineering applications remain unexplored so far. Herein, we applied quantum ...
Mechanical softening of thermoelectric semiconductor Mg2Si from nanotwinning
Nanotwinning exhibits strengthening effects in many metals, semiconductors, and ceramics. However, we show from ab-initio calculations that nanotwins significantly decrease the strength of thermoelectric semiconductor ...