Journal of Materials Chemistry C · 2014 · 61 citations · 25 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMagnetic MaterialsMaterials PhysicsCurie TemperatureDensity Functional TheoryFerromagnetismMagnetic AnisotropyMagnetic Properties Of SolidsNanoporous MaterialsDensity Functional Theory Of Magnetic MaterialsGrapheneGraphene-based MaterialsMagnetic Anisotropy SimulationMagnetic Properties
Based on density functional theory, we investigated the magnetic properties of 5d transition metal (TM) atoms at the porous sites of graphene-like carbon nitride (g-C<sub>3</sub>N<sub>4</sub>).
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16