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New Zirconium Diboride Polymorphs—First-Principles Calculations
Two new hypothetical zirconium diboride (ZrB [Formula: see text]) polymorphs: (hP6-P6 [Formula: see text] /mmc-space group, no. 194) and (oP6-Pmmn-space group, no. 59), were thoroughly studied under the first-principles density functional theory calculations from the structural, mechanical and therm...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7372453/ https://www.ncbi.nlm.nih.gov/pubmed/32640681 http://dx.doi.org/10.3390/ma13133022 |