Crystal Structure Exploration of Boron Nitride Polymorphs Using Anharmonic Downward Distortion Following Method with Potential Energy Surface Modified by the Inverse of Lattice Volume
Sign Up to like & getrecommendations! Published in 2019 at "Chemistry Letters"
DOI: 10.1246/cl.190520
Abstract: The boron nitride polymorphs were explored using the anharmonic downward distortion following (ADDF) method with the energy value of the density functional-based tight binding approximation modifie... read more here.
Keywords: distortion following; boron nitride; anharmonic downward; nitride polymorphs ... See more keywords