In:
Chinese Physics Letters, IOP Publishing, Vol. 36, No. 11 ( 2019-11-01), p. 116101-
Abstract:
Based on density functional theory calculations, it is found that for substitutional N in diamond the C 3 v symmetry structure is more stable, while C 3 v and D 2 d symmetry patterns for the substitutional P in diamond have comparable energies. Moreover, the substitutional N is a deep donor for diamond, while P is a shallow substitutional n-type dopant. This is attributed to the different doping positions of dopant (the N atom is seriously deviated from the substitutional position, while the P atom nearly locates in the substitutional site), which are determined by the atomic radius.
Type of Medium:
Online Resource
ISSN:
0256-307X
,
1741-3540
DOI:
10.1088/0256-307X/36/11/116101
Language:
Unknown
Publisher:
IOP Publishing
Publication Date:
2019
detail.hit.zdb_id:
2040565-0
SSG:
6,25