English

CrCTe$_3$: Computational design of a robust two-dimensional anti-ferromagnetic semiconductor

Materials Science 2017-08-02 v1

Abstract

Using density functional theory calculations we establish the hitherto unknown compound CrCTe3_3 to be a stable anti-ferromagnetic semiconductor in the R3ˉ\bar{3} crystal structure with an indirect fundamental gap . Successive layers in the bulk compound are weakly bound by van der Waals forces so that individual layers can be easily exfoliated. A monolayer of CrCTe3_3 is also an anti-ferromagnetic semiconductor. The monolayer is structurally stable over a large range of compressive and tensile strains, and the anti-ferromagnetic state is robust over this strain range. Band gap of the monolayer can be tuned by as much as 50% by applying strain in this range.

Keywords

Cite

@article{arxiv.1707.00878,
  title  = {CrCTe$_3$: Computational design of a robust two-dimensional anti-ferromagnetic semiconductor},
  author = {Satyananda Chabungbam and Prasenjit Sen},
  journal= {arXiv preprint arXiv:1707.00878},
  year   = {2017}
}

Comments

14 pages, 11 figures