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Structural and Electronic Properties of Bulk $β$(2H)-GaSe from First-Principles DFT Calculations with van der Waals Corrections
Gallium selenide (GaSe) is a layered III-VI semiconductor whose bulk crystal serves as the essential energetic reference for modeling the isolated monolayer. We present a systematic density-functional-theory (DFT) study of the centrosymmetric $β$(2H)-GaSe polymorph, employing the GGA-PBE functional
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