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...
| Publicado en: | Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 72; no. 9; pp. 805 - 811 |
|---|---|
| Autores principales: | , , , |
| Formato: | Artículo |
| Publicado: |
De Gruyter
Sep2017
|
| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |