All sp2 hybridization BN polymorphs with wide bandgap

Four new boron nitride polymorphs hP24 BN, hP18-I BN, mP36 BN, and hP18-II BN with sp2 hybridization are investigated in this study by first-principles calculations, including the structural properties, stability, elastic properties, anisotropy, and electronic properties. Predicted by the electronic...

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Veröffentlicht in:	Journal of applied physics 2022-02, Vol.131 (5)
Hauptverfasser:	Fan, Qingyang, Wu, Nan, Yang, Runling, Zhang, Wei, Yu, Xinhai, Yun, Sining
Format:	Artikel
Sprache:	eng
Schlagworte:	Anisotropy Applied physics Boron nitride Dynamic stability Elastic analysis Elastic anisotropy Elastic properties Enthalpy First principles Gallium nitrides Modulus of elasticity Semiconductor materials Stability analysis Structural stability Wide bandgap semiconductors Zinc oxide
Online-Zugang:	Volltext
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