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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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Détails bibliographiques
Publié dans:Brazilian Journal of Physics
Auteurs principaux: F. Ayres, W. V. M. Machado, J. F. Justo, L. V. C. Assali
Format: Artigo
Langue:Inglês
Publié: Sociedade Brasileira de Física 2004
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Accès en ligne:https://www.redalyc.org/articulo.oa?id=46434441
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