Investigation of new superhard carbon allotropes with promising electronic properties

Yulia A. Kvashnina, Alexander G. Kvashnin, Pavel B. Sorokin

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)


During the systematic search for a new superhard carbon allotrope, we predicted three structures with promising physical properties. Our electronic structure calculations show that these materials have a semiconducting band gap and a high carrier mobility comparable with diamond. The simulated x-ray diffraction patterns of the proposed materials are in a good agreement with the experimental X-ray spectra. Evaluated phase transition pressures from graphite to the new proposed carbon phases are smaller than 25 GPa and close to the experimental values.

Original languageEnglish
Article number183708
JournalJournal of Applied Physics
Issue number18
Publication statusPublished - 14 Nov 2013
Externally publishedYes


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