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Robust and Pristine Topological Dirac Semimetal Phase in Pressured Two-Dimensional Black Phosphorus
- Source :
- The Journal of Physical Chemistry - Part C; August 2017, Vol. 121 Issue: 38 p20931-20936, 6p
- Publication Year :
- 2017
-
Abstract
- Very recently, in spite of various efforts in searching for two-dimensional topological Dirac semimetals (2D TDSMs) in phosphorene, there remains a lack of experimentally efficient way to activate such phase transition and the underlying mechanism for the topological phase acquisition is still controversial. Here, from first-principles calculations in combination with a band-sorting technique based on k·ptheory, a layer-pressure topological phase diagram is obtained and some of the controversies are clarified. We demonstrate that, compared with tuning by external electric-fields, strain or doping by adsorption, hydrostatic pressure can be an experimentally more feasible way to activate the topological phase transition for 2D TDSM acquisition in phosphorene. More importantly, the resultant TDSM state is a pristine phase possessing a single pair of symmetry-protected Dirac cones rightat the Fermi level, in startling contrast to the pressured bulkblack phosphorus where only a carrier-mixed Dirac state can be obtained. We corroborate that the Dirac points are robust under external perturbation as long as the glide-plane symmetry preserves. Our findings provide a means to realize 2D pristine TDSM in a more achievable manner, which could be crucial in the realization of controllable TDSM states in phosphorene and related 2D materials.
Details
- Language :
- English
- ISSN :
- 19327447 and 19327455
- Volume :
- 121
- Issue :
- 38
- Database :
- Supplemental Index
- Journal :
- The Journal of Physical Chemistry - Part C
- Publication Type :
- Periodical
- Accession number :
- ejs43126073
- Full Text :
- https://doi.org/10.1021/acs.jpcc.7b08926