Chinedu E Ekuma, Chia-Hui Lin, Juana Moreno, Wei Ku, Mark jarrell
We report a first-principles Wannier function analysis of the electronic structure of PdTe. Compared with the high-T$_\mathrm{c}$ FeSe superconductor, electronic correlation effects are much weaker in PdTe due to: 1) its three-dimensional structure, 2) the higher filling of the Pd $d$-shell, 3) its stronger covalency resulting from the closer energy of the Pd-$d$ and Te-$p$ shells, and 4) the larger crystal field effects on the Pd ion due to its near octahedral coordination. This case study provides a good contrast that highlights some important features (quasi-two-dimensionality, proximity to half-filling, weaker covalency, and higher orbital degeneracy) of Fe-based high-temperature superconductors.
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http://arxiv.org/abs/1210.4512
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