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First-Principles Theory of Phase Transitions in IrTe(2)
[Image: see text] We present a computational study of the electronic structure and lattice dynamics of IrTe(2) that sheds light on the debated mechanism of the temperature-induced phase transitions of this material. At ambient temperature, IrTe(2) adopts a hexagonal crystal structure typical of meta...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7997575/ https://www.ncbi.nlm.nih.gov/pubmed/32079398 http://dx.doi.org/10.1021/acs.jpclett.0c00012 |