"Crystal Structure Exploration of Boron Nitride Polymorphs Using Anharmonic Downward Distortion Following Method with Potential Energy Surface Modified by the Inverse of Lattice Volume"

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Crystal Structure Exploration of Boron Nitride Polymorphs Using Anharmonic Downward Distortion Following Method with Potential Energy Surface Modified by the Inverse of Lattice Volume

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... Click to show full abstract

Keywords: distortion following; boron nitride; anharmonic downward; nitride polymorphs; downward distortion; using anharmonic

Journal Title: Chemistry Letters
Year Published: 2019

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