First-principles calculations show van der Waals forces stabilize the known B2O3-I polymorph as lowest energy while metastable polymorphs match glass energy and density, offering an explanation for the material's strong vitrification tendency.
Sorella, Turborvb, quantum monte carlo software for electronic structure calculations , http://people.sissa.it/ sorella/web/
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van der Waals forces stabilize low-energy polymorphism in B2O3: Implications for the crystallization anomaly
First-principles calculations show van der Waals forces stabilize the known B2O3-I polymorph as lowest energy while metastable polymorphs match glass energy and density, offering an explanation for the material's strong vitrification tendency.