First-principles investigation of effects of defects on the physical properties of 3C-SiC under high temperatures and pressures
The effects of intrinsic and substitutional point defects MX (M = Li, Na, Mg, Al, K, Sc, Tb, Dy, Ho, Er; X = C, Si) and NMX (NM = H, B, N, P, S) on the formation energy, mechanical and thermodynamic properties of 3C-SiC at various temperatures and pressures have been studied based on density functio...
Main Authors: | , , , , , , , , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
Elsevier
2022-09-01
|
Series: | Journal of Materials Research and Technology |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785422012509 |