Depolarization of few-layer III-V and II-VI materials through symmetric rumpling

It is generally believed that few-layer films of wurtzite materials remove the destabilizing dipole by converting to a flat hexagonal structure. However, using first-principles calculations, we demonstrate that contrary to the existing consensus these few-layer hexagonal films exhibit a small symmet...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2022-05, Vol.24 (2), p.12621-1263
Hauptverfasser:	Sun, An-An, Gao, Shang-Peng
Format:	Artikel
Sprache:	eng
Schlagworte:	Bonding strength Depolarization Dipoles First principles Interlayers Potential energy Wurtzite
Online-Zugang:	Volltext
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