Study of the magnetism of C-doped MgO based on first-principles calculations and the Ising model.
Phys Chem Chem Phys
; 26(14): 11078-11083, 2024 Apr 03.
Article
in En
| MEDLINE
| ID: mdl-38529830
ABSTRACT
The electronic and magnetic properties of d0 dilute magnetic semiconductors formed by rock-salt structured magnesium oxide (MgO) doped with C are systematically studied based on first-principles calculations and the Ising model. It is shown that the electronic holes of p states are generated due to the impurity carbon replacing oxygen in MgO, and the magnetic moment of 2µB is introduced by each C impurity. The polarization energy and formation energy of C-doped MgO are calculated, and the magnetization energy of C-doped MgO is also calculated which is used to obtain the exchange constant between C impurities. By means of the Ising model, we simulated the magnetization and the susceptibility of the doped system with increasing temperature and obtained the Curie temperature of C-doped MgO.
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Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Phys Chem Chem Phys
Year:
2024
Document type:
Article