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Spin Polarization Properties of Two Dimensional GaP3 Induced by 3d Transition-Metal Doping
- Source :
- Micromachines, Vol 12, Iss 743, p 743 (2021), Micromachines, Volume 12, Issue 7
- Publication Year :
- 2021
- Publisher :
- MDPI AG, 2021.
-
Abstract
- The electronic structure and spin polarization properties of monolayer GaP3 induced by transition metal (TM) doping were investigated through a first-principles calculation based on density functional theory. The calculation results show that all the doped systems perform spin polarization properties, and the Fe–doped system shows the greatest spin polarization property with the biggest magnetic moment. Based on the analysis from the projected density of states, it was found that the new spin electronic states originated from the p–d orbital couplings between TM atoms and GaP3 lead to spin polarization. The spin polarization results were verified by calculating the spin density distributions and the charge transfer. It is effective to introduce the spin polarization in monolayer GaP3 by doping TM atoms, and our work provides theoretical calculation supports for the applications of triphosphide in spintronics.
- Subjects :
- Materials science
02 engineering and technology
Electronic structure
010402 general chemistry
01 natural sciences
Article
transition metal doping
Transition metal
TJ1-1570
Mechanical engineering and machinery
Electrical and Electronic Engineering
Spin (physics)
Spintronics
Spin polarization
Condensed matter physics
Magnetic moment
Mechanical Engineering
021001 nanoscience & nanotechnology
spin polarization
0104 chemical sciences
Control and Systems Engineering
first-principles calculations
Density of states
Density functional theory
Condensed Matter::Strongly Correlated Electrons
0210 nano-technology
Subjects
Details
- Language :
- English
- Volume :
- 12
- Issue :
- 743
- Database :
- OpenAIRE
- Journal :
- Micromachines
- Accession number :
- edsair.doi.dedup.....622abf7a33e1c09d907af9a03dd60779