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Electronic and magnetic properties of Ga, Ge, P and Sb doped monolayer arsenene
- Source :
- Journal of Solid State Chemistry. 251:1-6
- Publication Year :
- 2017
- Publisher :
- Elsevier BV, 2017.
-
Abstract
- In this paper, the structural, electronic, and magnetic properties of Ga, Ge, P and Sb doped monolayer arsenene have been systematically investigated by first-principles calculations based on density functional theory. The properties of monolayer arsenene can be effectively tuned by substitutional doping. Especially, the dopant Ga could lead to an indirect-to-direct bandgap transition and doping a Ge atom could exhibit dilute magnetic semiconductor property. In addition, the second Ge atom slightly prefers to occupy the next nearest-neighbor site of As atom to form the complex substituted defect (GeAs - As - GeAs) in As30Ge2 system and is found to be anti-ferromagnetic coupling. The diverse electronic and magnetic properties highlight the potential applications of monolayer arsenene in electronics, optoelectronics and spintronics.
- Subjects :
- Materials science
Condensed matter physics
Dopant
Spintronics
Band gap
Doping
02 engineering and technology
Magnetic semiconductor
010402 general chemistry
021001 nanoscience & nanotechnology
Condensed Matter Physics
01 natural sciences
0104 chemical sciences
Electronic, Optical and Magnetic Materials
Inorganic Chemistry
Condensed Matter::Materials Science
Atom
Monolayer
Materials Chemistry
Ceramics and Composites
Density functional theory
Physical and Theoretical Chemistry
0210 nano-technology
Subjects
Details
- ISSN :
- 00224596
- Volume :
- 251
- Database :
- OpenAIRE
- Journal :
- Journal of Solid State Chemistry
- Accession number :
- edsair.doi...........525d4def759d32b289a402fe857de425