Theoretical investigation of moganite

Autor: Ute, Hantsch, BjÖrn, Winkler, Chris, Pickard, Julian D. J., Gale, Michele C., Warren, Victor, Milman, Francesco, Mauri

Publikováno v: European Journal of Mineralogy
European Journal of Mineralogy, Copernicus, 2005, 17, pp.21-30
European Journal of Mineralogy, 2005, 17, pp.21-30

The structure and properties of two different modifications ofmoganite have been studied using density functional theory, and the results have been compared to quartz. It is shown that the enthalpy difference between quartz and moganite, whose struct

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::15b538e5788d1cbb1bdbc69ab62ef603
https://hal.archives-ouvertes.fr/hal-00021964