Arsenene and antimonene doped by group-VA atoms: First-principles studies of the geometric structures, electronic properties and STM images
| Autor: | Zhong Yan, Yonghong Hu, Yunyi Wu, Ting Shu, Li Xue, Caixia Mao |
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| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Lattice deformation Microscope Materials science Condensed matter physics Band gap Doping Charge density 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Electronic Optical and Magnetic Materials law.invention Group (periodic table) law Condensed Matter::Superconductivity 0103 physical sciences Atom Electrical and Electronic Engineering 0210 nano-technology Electronic properties |
| Zdroj: | Physica B: Condensed Matter. 553:195-201 |
| ISSN: | 0921-4526 |
| Popis: | Doping is of great importance for tuning the physical and chemical properties of new two-dimensional materials. In this work, the effects of group-VA atoms doping on the geometric structure and electronic properties of arsenene and antimonene are studied by first-principles calculations. Firstly, it's found that the substitutional doping of group-VA atom can cause obvious local lattice deformation in arsenene and antimonene crystals. Secondly, the doping of group-VA atoms leads to the decreases of band gaps in arsenene and antimonene in various doping cases. Then these results are analyzed and explained according to the variations of the electron density of states and charge density. Finally, we give the scanning tunnel microscope (STM) images of arsenene and antimonene doped by the group-VA atoms, which can provide a useful reference for the experimental researchers. Our studies yield valuable information for the applications of arsenene and antimonene in the future. |
| Databáze: | OpenAIRE |
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