Physical Chemistry Chemical Physics · 2023 · 10 citations · 28 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsSolid State PhysicsThin FilmsAntiferromagnetismMagnetic Properties Of SolidsPerovskite MaterialsSpintronic MaterialsSpintronicsThin Film Magnetic PropertiesAntiferromagnetic SpintronicsAntiferromagnetic Thin FilmsFirst-principles MagnetismFirst-principles ModelingInsulating MaterialsMagnetic PropertiesThin Film MagnetismThin-film Magnetic Materials
, 3.66 eV and 2.59 eV for BDRO and SDRO samples, respectively, hence suggesting their insulating nature. We have also carried out first principles calculations with DFT using the CASTEP software to gain more insights into the experimental data. These thin films with insulating-antiferromagnetic properties may be crucial for "spintronics devices".
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First principles methods using CASTEP
Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
Density Functional Theory of Electronic Structure
W. Kohn, Axel D. Becke, Robert G. Parr · The Journal of Physical Chemistry · 1996 · 3.4K citations
Natural Sciences, Chemistry, Physics +17
Perdew, Burke, and Ernzerhof Reply:
J. P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1998 · 1.6K citations