The effect of relativity on stability of Copernicium phases, their electronic structure and mechanical properties

H. vCenvcarikov'a; D. Legut

DOI:10.1016/j.physb.2017.11.035

Corpus ID: 119100368

The effect of relativity on stability of Copernicium phases, their electronic structure and mechanical properties

@article{vCenvcarikova2017TheEO,
  title={The effect of relativity on stability of Copernicium phases, their electronic structure and mechanical properties},
  author={H. vCenvcarikov'a and D. Legut},
  journal={Physica B-condensed Matter},
  year={2017},
  volume={536},
  pages={576-582}
}

H. vCenvcarikov'a, D. Legut

Published 2017

Materials Science, Physics

Physica B-condensed Matter

Abstract The phase stability of the various crystalline structures of the super-heavy element Copernicium was determined based on the first-principles calculations with different levels of the relativistic effects. We utilized the Darwin term, mass-velocity, and spin-orbit interaction with the single electron framework of the density functional theory while treating the exchange and correlation effects using local density approximations. It is found that the spin-orbit coupling is the key… CONTINUE READING

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