Universität zu Köln

Kuo, C. -Y., Haupricht, T., Weinen, J., Wu, Hua ORCID: 0000-0003-1280-202X, Tsuei, K. -D., Haverkort, M. W., Tanaka, A. and Tjeng, L. H. (2017). Challenges from experiment: electronic structure of NiO. Eur. Phys. J.-Spec. Top., 226 (11). S. 2445 - 2457. HEIDELBERG: SPRINGER HEIDELBERG. ISSN 1951-6401

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Abstract

We report on a detailed experimental and theoretical study of the electronic structure of NiO. The charge-transfer nature of the band gap as well as the intricate interplay between local electronic correlations and band formation makes NiO to be a challenging case for a quantitative ab-initio modeling of its electronic structure. To reproduce the compensated-spin character of the first ionization state and the state created by hole doping requires a reliable determination of the charge transfer energy Delta relative to the Hubbard U. Furthermore, the presence of non-local screening processes makes it necessary to go beyond single-site many body approaches to explain the valence band spectrum.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Kuo, C. -Y. UNSPECIFIED UNSPECIFIED UNSPECIFIED Haupricht, T. UNSPECIFIED UNSPECIFIED UNSPECIFIED Weinen, J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Wu, Hua UNSPECIFIED orcid.org/0000-0003-1280-202X UNSPECIFIED Tsuei, K. -D. UNSPECIFIED UNSPECIFIED UNSPECIFIED Haverkort, M. W. UNSPECIFIED UNSPECIFIED UNSPECIFIED Tanaka, A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Tjeng, L. H. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-225987
DOI:	10.1140/epjst/e2017-70061-7
Journal or Publication Title:	Eur. Phys. J.-Spec. Top.
Volume:	226
Number:	11
Page Range:	S. 2445 - 2457
Date:	2017
Publisher:	SPRINGER HEIDELBERG
Place of Publication:	HEIDELBERG
ISSN:	1951-6401
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language TRANSITION-METAL MONOXIDES; VALENCE-BAND PHOTOEMISSION; MOTT INSULATORS; ABSORPTION; SPECTRA; OXIDES; HOLES; MNO Multiple languages Physics, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/22598