| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
|
|
|
|
Magnetic and Electronic Properties of $\beta$-Graphyne Doped with Rare-Earth Atoms |
| Juan Ren1,2**, Song-Bin Zhang1**, Ping-Ping Liu3 |
1School of Physics and Information Technology, Shaanxi Normal University, Xi'an 710119
2School of Science, Xi'an Technological University, Xi'an 710032
3College of Materials and Engineering, Yangtze Normal University, Chongqing 408000
|
|
| Cite this article: |
|
Juan Ren, Song-Bin Zhang, Ping-Ping Liu 2019 Chin. Phys. Lett. 36 076101 |
|
|
|
|
Abstract Structural, electronic and magnetic properties of La-, Ce-, Pr-, Nd-, Pm-, Sm- and Eu-doped $\beta$-graphyne are investigated by comprehensive ab initio calculation based on density functional theory. The adsorption energies indicate that the dopings are suitable. The doped $\beta$-graphyne undergoes transition from semiconductor to metal. Furthermore, the doping of Nd, Pm, Sm and Eu atoms can induce magnetization. The results are useful for spintronics and the design of future electronic devices.
|
|
|
Received: 21 March 2019
Published: 20 June 2019
|
|
| PACS: |
61.48.Gh
|
(Structure of graphene)
|
| |
73.22.Pr
|
(Electronic structure of graphene)
|
| |
75.75.-c
|
(Magnetic properties of nanostructures)
|
| |
71.15.Mb
|
(Density functional theory, local density approximation, gradient and other corrections)
|
|
|
| Fund: Supported by the Scientific Research Plan Projects of Shannxi Education Department under Grant No 17JK0366, and the Natural Science Foundation of Shaanxi Science and Technology Department under Grant Nos 2018JQ1042, 2017ZDXM-GY-114 and 2018GY-044. |
|
|
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
