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Exchange interactions of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>CaMnO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math> in the bulk and at the surface
In this work, we present electronic and magnetic properties of CaMnO3 (CMO) as obtained from ab initio calculations. We identify the preferable magnetic order by means of density functional theory plus Hubbard U calculations and extract the effective exchange parameters (Jij's) using the magnetic force theorem. We find that the …