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Determining ideal strength and failure mechanism of thermoelectric CuInTe 2 through quantum mechanics
(Royal Society of Chemistry, 2018)
CuInTe_2 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 ...
Ductile deformation mechanism in semiconductor ?-Ag 2 S
(Nature Research, 2018)
Inorganic semiconductor ?-Ag2S exhibits a metal-like ductile behavior at room temperature, but the origin of this high ductility has not been fully explored yet. Based on density function theory simulations on the intrinsic ...
Ductile deformation mechanism in semiconductor alpha-Ag2S
Inorganic semiconductor alpha-Ag2S exhibits a metal-like ductile behavior at room temperature, but the origin of this high ductility has not been fully explored yet. Based on density function theory simulations on the ...