Details

Autor(en) / Beteiligte

• Tian, Shijian
• Zhang, Libo
• Liang, Yuan
• Xie, Ruikuan
• Han, Li
• Lan, Shiqi
• Lu, Aijiang
• Huang, Yan
• Xing, Huaizhong
• Chen, Xiaoshuang

Titel

Room Temperature Ferromagnetic Properties of Ga[sub.14]N[sub.16−n]Gd[sub.2]C[sub.n] Monolayers: A First Principle Study

Ist Teil von

• Crystals (Basel), 2023-03, Vol.13 (3)

Ort / Verlag

MDPI AG

Erscheinungsjahr

2023

Quelle

EZB Electronic Journals Library

Beschreibungen/Notizen

• Electronic and magnetic properties of Ga[sub.14] N[sub.16−n] Gd[sub.2] C[sub.n] monolayers are investigated by means of the first principle calculation. The generalized gradient approximation (GGA) of the density functional theory with the on-site Coulomb energy U was considered (GGA + U). It is found that the total magnetic moment of a Ga[sub.14] N[sub.16] Gd[sub.2] monolayer is 14 μ[sub.B] with an antiferromagnetic (AFM) phase. C atom substitutional impurity can effectively change the magnetic state of Ga[sub.14] N[sub.16−n] Gd[sub.2] C[sub.n] monolayers to ferromagnetic phases (FM), and the magnetic moment increases by 1μ[sub.B] /1C. The stable FM phase is due to the p-d coupling orbitals between the C-2p and Gd-5d states. Moreover, Curie temperature (T[sub.C] ) close to room temperature (T[sub.R] , 300 K) is observed in the Ga[sub.14] N[sub.16] Gd[sub.2] C[sub.2] monolayer, and the highest value can reach 261.46 K. In addition, the strain effect has a significant positive effect on the T[sub.C] of the Ga[sub.14] N[sub.16−n] Gd[sub.2] C[sub.n] monolayer, which is much higher than the T[sub.R] , and the highest value is 525.50 K. This provides an opportunity to further explore the application of two-dimensional magnetic materials in spintronic devices.