Mechanical, Electronic, and Optical Properties of β-BO: First-Principles Calculations.

The mechanical, electronic, and optical properties of β-BO are calculated by first-principles. The structural optimization and all properties are calculated by the method of generalized gradient approximation - Perdew, Burke and Ernzerhof (PBE). The hardness of β-BO is 39 GPa under a pressure of 0 G...

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Publicado en:	Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 72; no. 9; pp. 805 - 811
Autores principales:	Ruike Yang, Shaowei Ma, Qun Wei, Zheng Du
Formato:	Artículo
Publicado:	De Gruyter Sep2017
Materias:	Optical properties Optics Hardness Hard materials Semiconductor characterization
Acceso en línea:	Ver este registro en EBSCOhost