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4 papers · 2 filters
Reduction of Magnetic Interaction Due to Clustering in Doped Transition-Metal Dichalcogenides: A Case Study of Mn, V, Fe-Doped
Sabyasachi Tiwari, Maarten Van de Put, Bart Soree +2
Using Hubbard U corrected density functional theory calculations, lattice Monte-Carlo, and spin-Monte-Carlo simulations, we investigate the impact of dopant clustering on the magne…
A priori procedure to establish spinodal decomposition in alloys
Simon Divilov, Hagen Eckert, Cormac Toher +10
Spinodal decomposition can improve a number of essential properties in materials, especially hardness. Yet, the theoretical prediction of the onset of this phenomenon (e.g., temper…
Laser-enhanced magnetism in SmFeO
Mohsen Yarmohammadi, Marin Bukov, Vadim Oganesyan +1
To coherently enhance inherent weak magnetic interactions in rare-earth orthoferrite SmFeO as a functional material for spintronic applications, we simulate the dissipative spi…
Scalable synthesis and characterization of multilayer -graphyne, new carbon crystals with a small direct bandgap
Victor G. Desyatkin, William B. Martin, Ali E. Aliev +12
-Graphyne is the most symmetric sp2/sp1 allotrope of carbon, which can be viewed as graphene uniformly expanded through insertion of two-carbon acetylenic units between all the…