Electronic entanglement in late transition metal oxides
2012 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 109, no 18, 186401- p.Article in journal (Refereed) Published
We present a study of the entanglement in the electronic structure of the late transition metal monoxides-MnO, FeO, CoO, and NiO-obtained by means of density-functional theory in the local density approximation combined with dynamical mean-field theory. The impurity problem is solved through exact diagonalization, which grants full access to the thermally mixed many-body ground state density operator. The quality of the electronic structure is affirmed through a direct comparison between the calculated electronic excitation spectrum and photoemission experiments. Our treatment allows for a quantitative investigation of the entanglement in the electronic structure. Two main sources of entanglement are explicitly resolved through the use of a fidelity based geometrical entanglement measure, and additional information is gained from a complementary entropic entanglement measure. We show that the interplay of crystal field effects and Coulomb interaction causes the entanglement in CoO to take a particularly intricate form.
Place, publisher, year, edition, pages
2012. Vol. 109, no 18, 186401- p.
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:uu:diva-173295DOI: 10.1103/PhysRevLett.109.186401ISI: 000310434400021OAI: oai:DiVA.org:uu-173295DiVA: diva2:517236