Electronic and magnetic properties of two-dimensional Li$_{3}$N

K. Zberecki; M. Wierzbicki

Electronic and magnetic properties of two-dimensional Li$_{3}$N

Materials Science 2012-11-22 v1 Atomic Physics

Authors: K. Zberecki , M. Wierzbicki

Abstract

Using first-principles plane-wave calculations study of electronic and magnetic properties of hypothetical two-dimensional structure of Li $_{2}$ N compound have been conducted. Calculations show, that electronic properties of this this structure can be inflenced by hydrogenation, which may change the system from wide-gap semiconductor to metal. Also, non-zero magnetic moment, equal to 1 $\mu_{B}$ can be generated by intruduction of H vacanies in hydrogenated structure.

Keywords

two-dimensional materials lithium nitride electronic properties magnetic properties hydrogenation first-principles calculations band structure magnetic moment

Cite

@article{arxiv.1211.5005,
  title  = {Electronic and magnetic properties of two-dimensional Li$_{3}$N},
  author = {K. Zberecki and M. Wierzbicki},
  journal= {arXiv preprint arXiv:1211.5005},
  year   = {2012}
}

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