Systematic tight-binding analysis of ARPES spectra of transition-metal oxides - Condensed Matter > Strongly Correlated ElectronsReportar como inadecuado




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Abstract: We have performed systematic tight-binding TB analyses of theangle-resolved photoemission spectroscopy ARPES spectra of transition-metalTM oxides A$M$O$ 3$ $M=$ Ti, V, Mn, and Fe with the perovskite-typestructure and compared the obtained parameters with those obtained fromconfiguration-interaction CI cluster-model analyses of photoemission spectra.The values of $\epsilon d-\epsilon p$ from ARPES are found to be similar to thecharge-transfer energy $\Delta$ from O $2p$ orbitals to empty TM 3d orbitalsand much larger than $\Delta-U-2$ $U$: on-site Coulomb energy expected forMott-Hubbard-type compounds including SrVO$ 3$. $\epsilon d-\epsilon p$ valuesfrom {\it ab initio} band-structure calculations show similar behaviors tothose from ARPES. The values of the $p-d$ transfer integrals to describe theglobal electronic structure are found to be similar in all the estimates,whereas additional narrowing beyond the TB description occurs in the ARPESspectra of the $d$ band.



Autor: H. Wadati, A. Chikamatsu, M. Takizawa, H. Kumigashira, T. Yoshida, T. Mizokawa, A. Fujimori, M. Oshima, N. Hamada

Fuente: https://arxiv.org/



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