2022
DOI: 10.3389/fchem.2022.898174
|View full text |Cite
|
Sign up to set email alerts
|

Electronic, Magnetic, and Optical Performances of Non-Metals Doped Silicon Carbide

Abstract: The configurations of nine different non-metals doped silicon carbide (NM-SiC) were structured by using the density functional theory (DFT). The magnetic, electronic, and optical properties of each NM-SiC are investigated at the most stable structure with the maximum binding energy. Although the O-, Si-, and S-SiC systems are still non-magnetic semiconductors, the N- and P-SiC systems have the properties of the magnetic semiconductors. The H-, F-, and Cl-SiC systems exhibit the half-metal behaviors, while the … Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
3
2

Citation Types

1
11
0

Year Published

2022
2022
2023
2023

Publication Types

Select...
10

Relationship

4
6

Authors

Journals

citations
Cited by 22 publications
(12 citation statements)
references
References 56 publications
1
11
0
Order By: Relevance
“…The distribution of the spin-polarized charge densities was extended into a large space, not just into the substrate atoms nearby, but also into those farther away, suggesting a long-range magnetic coupling interaction. This long-range magnetization is similar to that in the NM doped SiC [ 54 ].…”
Section: Resultssupporting
confidence: 71%
“…The distribution of the spin-polarized charge densities was extended into a large space, not just into the substrate atoms nearby, but also into those farther away, suggesting a long-range magnetic coupling interaction. This long-range magnetization is similar to that in the NM doped SiC [ 54 ].…”
Section: Resultssupporting
confidence: 71%
“…The relaxed lattice parameters were found to be a = b = 3.12 Å and the Si–C bond length 1.80 Å which agrees with previous theoretical and experimental results. 30,33,74,75 Then, by using the optimized structure, a 32 atoms rectangular supercell was created and the optimized lattice parameters were found to be 21.62 and 6.24 Å along x - and z -axis, respectively, as depicted in Fig. 1a.…”
Section: Resultsmentioning
confidence: 99%
“…However, the thickness is only one or a few atomic layers. 2D materials have unique electronic [3][4][5], optoelectronic [6][7][8], and catalytic [9][10][11] properties owing to the surface and quantum confinement effects, which have become a hot research topic in the recent years. Two−dimensional zinc oxide (2D ZnO) is one of the semiconductor materials with excellent properties.…”
Section: Introductionmentioning
confidence: 99%