Exploring configurations and properties of boron carbide by first principle
Based on the first principle, the formation energy, phonon vibration, physical property of three common B _4 C models were extensively study. Through the calculation of thermodynamic formation energy, it is confirmed po model has the most stable energy configuration. Combined the simulated x-ray and...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2020-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/ab6118 |