The electronic and transport properties of borophane with defects: A first principles study
Abstract
Recent works well confirm the stability of hydrogenated borophene, known as borophane. Here, first principles studies have performed on the electronic and transport properties of borophane with defects. The calculations indicate that the introduction of defects results in different behavior of charges redistribution along x and y directions. The intrinsic electronic structure of borophane with Dirac cone is destroyed in various degrees by each type of defect. The inducing defect states lead to the occurrence of flat bands, which are not benefit for the electronic transport properties. According to the transmission spectra and I-V characteristics, these defects decrease the transmission intensity and the current value both along two directions. However, the transport anisotropy can be efficiently tuned by defect, which may contribute to the design of functional device.
- Publication:
-
Physica E Low-Dimensional Systems and Nanostructures
- Pub Date:
- March 2018
- DOI:
- 10.1016/j.physe.2017.11.012
- Bibcode:
- 2018PhyE...97..170S
- Keywords:
-
- First principles;
- Borophane;
- Defects;
- Electronic band structure;
- Electronic transport