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Negative Thermal Expansion in Hexagonal VF3 Predicted by First-Principles Calculation

Dingfeng Yang,Hongxu Xia,Yurou Tang,Mingyu Pi, Yuanyuan Li

SMART MATERIALS AND STRUCTURES（2024）

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Key words
negative thermal expansion,hexagonal VF3,Gr & uuml,neisen parameter,crystal orbital hamilton population(COHP)
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