First-principles study on mechanical and elastic properties of BxAl1-xP alloys
Based on density functional theory calculations, systematic calculations of the structural properties, elastic anisotropy and mechanical properties of boron alloying aluminum phosphide (BxAl1-xP) ternary mixed crystal have been presented. The results of the lattice parameters, band gaps, elastic con...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2017-06-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4985254 |