Computational modeling of magnetism induced in nonmagnetic 2D materials
Апстракт
Using density functional theory (DFT) we examined several methods to induce magnetism in 2D materials that are intrinsically nonmagnetic. First, we briefly describe the paramagnetic nature of point defects in graphene and discuss why they can not give rise to long-range magnetic ordering. Then we consider magnetic adatoms adsorbed on 2D materials and indicated approaches to prevent their clustering into 3D nanoparticles. The focus of the study is magnetism induced in borophene upon the adsorption of Fe atoms. Combining DFT with Monte Carlo simulations we described temperature effects on magnetic ordering and estimated the critical temperature of this Fe-based 2D magnet.
Извор:
16th Photonics Workshop : Book of abstracts, 2023, 39-39Издавач:
- Belgrade : Institute of Physics
Напомена:
- XVI Photonics Workshop : Book of abstracts; March 12-15, 2023; Kopaonik, Serbia
Колекције
Институција/група
VinčaTY - CONF AU - Šljivančanin, Željko PY - 2023 UR - https://vinar.vin.bg.ac.rs/handle/123456789/13041 AB - Using density functional theory (DFT) we examined several methods to induce magnetism in 2D materials that are intrinsically nonmagnetic. First, we briefly describe the paramagnetic nature of point defects in graphene and discuss why they can not give rise to long-range magnetic ordering. Then we consider magnetic adatoms adsorbed on 2D materials and indicated approaches to prevent their clustering into 3D nanoparticles. The focus of the study is magnetism induced in borophene upon the adsorption of Fe atoms. Combining DFT with Monte Carlo simulations we described temperature effects on magnetic ordering and estimated the critical temperature of this Fe-based 2D magnet. PB - Belgrade : Institute of Physics C3 - 16th Photonics Workshop : Book of abstracts T1 - Computational modeling of magnetism induced in nonmagnetic 2D materials SP - 39 EP - 39 UR - https://hdl.handle.net/21.15107/rcub_vinar_13041 ER -
@conference{ author = "Šljivančanin, Željko", year = "2023", abstract = "Using density functional theory (DFT) we examined several methods to induce magnetism in 2D materials that are intrinsically nonmagnetic. First, we briefly describe the paramagnetic nature of point defects in graphene and discuss why they can not give rise to long-range magnetic ordering. Then we consider magnetic adatoms adsorbed on 2D materials and indicated approaches to prevent their clustering into 3D nanoparticles. The focus of the study is magnetism induced in borophene upon the adsorption of Fe atoms. Combining DFT with Monte Carlo simulations we described temperature effects on magnetic ordering and estimated the critical temperature of this Fe-based 2D magnet.", publisher = "Belgrade : Institute of Physics", journal = "16th Photonics Workshop : Book of abstracts", title = "Computational modeling of magnetism induced in nonmagnetic 2D materials", pages = "39-39", url = "https://hdl.handle.net/21.15107/rcub_vinar_13041" }
Šljivančanin, Ž.. (2023). Computational modeling of magnetism induced in nonmagnetic 2D materials. in 16th Photonics Workshop : Book of abstracts Belgrade : Institute of Physics., 39-39. https://hdl.handle.net/21.15107/rcub_vinar_13041
Šljivančanin Ž. Computational modeling of magnetism induced in nonmagnetic 2D materials. in 16th Photonics Workshop : Book of abstracts. 2023;:39-39. https://hdl.handle.net/21.15107/rcub_vinar_13041 .
Šljivančanin, Željko, "Computational modeling of magnetism induced in nonmagnetic 2D materials" in 16th Photonics Workshop : Book of abstracts (2023):39-39, https://hdl.handle.net/21.15107/rcub_vinar_13041 .