A First Principles Investigation of Mercuric Iodide: Bulk Properties and Intrinsic Defects
We carried a theoretical investigation on the properties of mercuric iodide in the red tetragonal crystallinephase, and its respective intrinsic defects. Our calculations were performed using the ab initio spin-polarizedfull-potential linearized augmented plane wave method, and taking into account f...
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| Pubblicato in: | Brazilian Journal of Physics |
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| Autori principali: | , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Sociedade Brasileira de Física
2004
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| Soggetti: | |
| Accesso online: | https://www.redalyc.org/articulo.oa?id=46434441 |
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