van der Waals forces stabilize low-energy polymorphism in B2O3: Implications for the crystallization anomaly

Phys. Rev. Materials 3, 063603 – Published 10 June 2019
Guillaume Ferlat1, Maria Hellgren1, François-Xavier Coudert2, Henri Hay1, Francesco Mauri1,3, and Michele Casula1
- 1Sorbonne Université, MNHN, UMR CNRS 7590, IRD, IMPMC, F-75005 Paris, France
- 2Chimie ParisTech, PSL University, CNRS, Institut de Recherche de Chimie Paris, 75005 Paris, France
- 3Dipartimento di Fisica, Università di Roma La Sapienza, Piazzale Aldo Moro 5, I-00185 Roma, Italy