Bhatta Bhattacharjee, Aashka Trivedi, et al.
EMNLP 2024
We report complex band structure (CBS) calculations for the four late transition metal monoxides MnO, FeO, CoO, and NiO in their paramagnetic phase. The CBS is obtained from density functional theory plus dynamical mean field theory (DMFT) calculations to take into account correlation effects. The so-called β parameters, governing the exponential decay of the transmission probability in the nonresonant tunneling regime of these oxides, are extracted from the CBS. Different model constructions are examined in the DMFT part of the calculation. The calculated β parameters provide theoretical estimation for the decay length in the evanescent channel, which would be useful for tunnel junction applications of these materials.
Bhatta Bhattacharjee, Aashka Trivedi, et al.
EMNLP 2024
Francesco Fusco, Peter Staar, et al.
EMNLP 2022
Heiner Giefers, Peter Staar, et al.
ISPASS 2016
Edward Pyzer-knapp, Matteo Manica, et al.
npj Computational Materials