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arXiv · 0807.3162

Orbital mixing and nesting in the bilayer manganites La$_{2-2x}$Sr$_{1+2x}$Mn$_2$O$_7$

R. Saniz·M. R. Norman·A. J. Freeman
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Abstract

A first principles study of La$_{2-2x}$Sr$_{1+2x}$Mn$_2$O$_7$ compounds for doping levels $0.3\leq x\leq 0.5$ shows that the low energy electronic structure of the majority spin carriers is determined by strong momentum dependent interactions between the Mn $e_g$ $d_{x^2-y^2}$ and $d_{3z^2-r^2}$ orbitals, which in addition to an $x$ dependent Jahn-Teller distortion, differ in the ferromagnetic and antiferromagnetic phases. The Fermi surface exhibits nesting behavior that is reflected by peaks in the static susceptibility, whose positions as a function of momentum have a non-trivial dependence on $x$.

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R. Saniz, M. R. Norman, A. J. Freeman. 2008-12-23. Orbital mixing and nesting in the bilayer manganites La$_{2-2x}$Sr$_{1+2x}$Mn$_2$O$_7$. https://doi.org/10.1103/physrevlett.101.236402

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