In this image, d orbital splitting at fermi energy of (a) Mn atoms in bulk (b) Mn atoms at the interface of MgO (c) Mn atoms above the interface of thin film. CF (SOC) denotes Crystal field (Spin orbit coupling). I'm little confused about the eg and t2g as in this image, there are group of three in (a). Whats the explainantion for this?
Dear Prof. Mohit Verma
Let us wait for the answer of an specialist in crystal theory.
In general the crystal field theory assumes that the nature of the ligands and their arrangement around a central ion (with a complex symmetry such as octahedral) reduces the degeneracy of the d orbitals and changes their energy.
Best Regards.
Hi,
e_g and t_{2g} are symmetry labels that are associated with crystal field splitting where the perturbing electric field (crystal field) has octahedral symmetry. In the cases you show, there are different splittings, which is indicative of a different symmetry. For a) it looks to me like a Jahn-Teller distorted octahedron (D_4h point group), which does not show e_g / t_{2g} splitting.
Hope that helps,
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