The full-potential linearized augmented plane wave (FP-LAPW) method within the density functional theory is used to investigate the structural and electronic properties of ZrSiO 4 in its low pressure phase (zircon). In this approach, the generalized gradient approximation was used for the exchange-c
β¦ LIBER β¦
Modeling the structure of zircon (ZrSiO4): empirical potentials, ab initio electronic structure
β Scribed by Jean-Paul Crocombette; Dominique Ghaleb
- Book ID
- 108346293
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 89 KB
- Volume
- 257
- Category
- Article
- ISSN
- 0022-3115
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