Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
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Phase transformations of LA3 and LA5 diamond polymorph

V.A. Greshnyakov, E.A. Belenkov

Chelyabinsk State University, Chelyabinsk, Russia

DOI: 10.26456/pcascnn/2019.11.458

Abstract: Ab initio investigations of possible methods for obtaining diamond-like LA3 and LA5 phases, consisting of polymerized cyclobutane rings, were performed. It was established that LA3 phase can be obtained from L6 AA and L4-8 AA graphites at pressures from 50 to 67 GPa, whereas LA5 phase can be formed from L6 AB and L4-8 AB graphites at pressures from 45 to 71 GPa. In addition, LA5 phase can be obtained by strong uniaxial compressing of LA3 phase at pressures above 160 GPa.

Keywords: diamond, diamond-like phases, ab initio calculations, crystal structure, phase transitions.

Bibliography link:

Greshnyakov, V.A. Phase transformations of LA3 and LA5 diamond polymorph / V.A. Greshnyakov, E.A. Belenkov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials: Interuniversity collection of proceedings / Ed. by V.M. Samsonov, N.Yu. Sdobnyakov. – Tver: TSU, 2019. – I. 11. – P. 458-465.

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