First-principles study of several hypothetical silica framework structures
نویسندگان
چکیده
منابع مشابه
First-Principles Study of Several Novel Silica Framework Structures
(ABSTRACT) Several novel silica structures have been generated using a simulated-annealing strategy with an ab-initio based covalent-bonding potential. First-principles total-energy pseu-dopotential methods have been used to examine several promising novel structures and to compare their structural parameters, cohesive energies and bulk moduli with those of low-quartz, low-cristobalite, silica-...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1995
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.52.8064