Elastic, electronic, optical and thermodynamic properties of Ba3Ca2Si2N6 semiconductor: First-principles predictions
In this paper, we present and discuss the results of first-principles calculations of the structural, electronic, optical, elastic and thermodynamic properties of the monoclinic quaternary nitride Ba3Ca2Si2N6. A comparison between the computed crystal structure parameters and the corresponding exper...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Published: |
Elsevier
2020
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/37545/ |
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