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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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| Veröffentlicht in: | Brazilian Journal of Physics |
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| Hauptverfasser: | , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Sociedade Brasileira de Física
2004
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| Schlagworte: | |
| Online Zugang: | https://www.redalyc.org/articulo.oa?id=46434441 |
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