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In this study, we employ Graph Neural Networks (GNNs) to accelerate the discovery of novel 2D magnetic materials which have transformative potential in spintronics applications. Using data from the Materials Project database and the Computational 2D
Externí odkaz:
http://arxiv.org/abs/2311.00939
Autor:
Elrashidy, Ahmed, Yan, Jia-An
We have carried out density-functional theory (DFT) calculations to study the magnetic stability of both ferromagnetic (FM) and anti-ferromagnetic (AFM) states in monolayer 1T-CrTe2. Our results show that the AFM order is lower in energy and thus is
Externí odkaz:
http://arxiv.org/abs/2310.19735
Autor:
Elrashidy, Ahmed, Yan, Jia-An
Publikováno v:
Physical Chemistry Chemical Physics (PCCP); 12/14/2024, Vol. 26 Issue 46, p28849-28857, 9p
Akademický článek
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Autor:
Elrashidy A; Department of Physics, Astronomy, and Geosciences, Towson University, 8000 York Road, Towson, MD 21252, USA. aalras2@students.towson.edu., Yan JA; Department of Physics, Astronomy, and Geosciences, Towson University, 8000 York Road, Towson, MD 21252, USA. aalras2@students.towson.edu.
Publikováno v:
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Nov 27; Vol. 26 (46), pp. 28849-28857. Date of Electronic Publication: 2024 Nov 27.