基于密度泛函理论的量子计算应变工程研究 AsXY(X=S、Se 和 Y=Cl、Br、I)单层的电子和热电特性

Fawad Khan, Iftikhar Ahmad, Bin Amin, Muhammad Ilyas, Fida Rehman, Mehwish Ali
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Density functional theory-based quantum-computational strain engineering of electronic and thermoelectric properties of AsXY (X=S, Se and Y=Cl, Br, I) monolayer
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