Affordable Access

Publisher Website

First-principles study on the effect of point defects on the magnetic new mechanism and optical properties of the GaN:Be/Mg/Ca system

Authors
  • Hou, Qingyu
  • Qi, Mude
  • Li, Cong
Type
Published Article
Journal
Modelling and Simulation in Materials Science and Engineering
Publisher
IOP Publishing
Publication Date
Mar 08, 2024
Volume
32
Issue
3
Identifiers
DOI: 10.1088/1361-651X/ad2d69
Source
ioppublishing
Keywords
Disciplines
  • Paper
License
Unknown

Abstract

The new magnetic mechanism and optical properties of Ga vacancies and Hi interstitial in the GaN: Be/Mg/Ca system have not been fully understood, and the use of first principles can solve this problem. The effect of point defects on the magnetic mechanism and optical properties of the GaN: Be/Mg/Ca system was investigated using the first nature principle of the hybridized generalized HSE06 method. Results show that all doped systems have N2− ions in addition to N3− ions, and N2− ions have the dual property of itinerant electrons in the off-domain (donor) and of local electrons (acceptor). The magnetism of magnetic doped systems is generated by the hybrid coupling of Ga4s and N2− 2p states. In comparison with the Ga34MN36 (M = Be/Ca) system, the magnetic moments of Ga34MHiN36 (M = Be/Ca) system are reduced after doping with Hi interstitial. The magnetic properties of the Ga34MgN36 system can be regulated by the presence or absence of Hi interstitial, which is advantageous as a magnetic switch. The absorption spectral distribution of the Ga34MgHiN36 system extends to the mid-infrared optical region. This material has some reference value as infrared thermophotovoltaic cells, infrared photodetectors, or infrared semiconductor lasers.

Report this publication

Statistics

Seen <100 times