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High-pressure polymorphs of ZnCO(3): Evolutionary crystal structure prediction
The high-pressure behavior of zinc carbonate ZnCO(3) has been investigated using universal structure prediction method together with the density functional theory. In order to explore all possible structures under pressure, separate calculations at high pressure are done here with increasing number...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5381494/ https://www.ncbi.nlm.nih.gov/pubmed/24894072 http://dx.doi.org/10.1038/srep05172 |