Theoretical study of the structure and fundamental properties of AZn2N2 (A = Ca, Sr, Ba)
The structure, stability, elastic, electronic, and optical properties of trigonal AZn2N2 (A = Ca, Sr, Ba) are simulated and compared in this work. The stability and physical properties of BaZn2N2 are mainly highlighted. According to the calculated results, three compounds are thermodynamically and m...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-11-01
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| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535222005792 |