Universität zu Köln

Chang, C. F., Koethe, T. C., Hu, Z., Weinen, J., Agrestini, S., Zhao, L., Gegner, J., Ott, H., Panaccione, G., Wu, Hua ORCID: 0000-0003-1280-202X, Haverkort, M. W., Roth, H., Komarek, A. C., Offi, F., Monaco, G., Liao, Y. -F., Tsuei, K. -D., Lin, H. -J., Chen, C. T., Tanaka, A. and Tjeng, L. H. (2018). c-Axis Dimer and Its Electronic Breakup: The Insulator-to-Metal Transition in Ti2O3. Phys. Rev. X, 8 (2). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2160-3308

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Abstract

We report on our investigation of the electronic structure of Ti2O3 using (hard) x-ray photoelectron and soft x-ray absorption spectroscopy. From the distinct satellite structures in the spectra, we have been able to establish unambiguously that the Ti-Ti c-axis dimer in the corundum crystal structure is electronically present and forms an a(1g)a(1g) molecular singlet in the low-temperature insulating phase. Upon heating, we observe a considerable spectral weight transfer to lower energies with orbital reconstruction. The insulator-metal transition may be viewed as a transition from a solid of isolated Ti-Ti molecules into a solid of electronically partially broken dimers, where the Ti ions acquire additional hopping in the a-b plane via the e(g)(pi) channel, the opening of which requires consideration of the multiplet structure of the on-site Coulomb interaction.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Chang, C. F. UNSPECIFIED UNSPECIFIED UNSPECIFIED Koethe, T. C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Hu, Z. UNSPECIFIED UNSPECIFIED UNSPECIFIED Weinen, J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Agrestini, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Zhao, L. UNSPECIFIED UNSPECIFIED UNSPECIFIED Gegner, J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Ott, H. UNSPECIFIED UNSPECIFIED UNSPECIFIED Panaccione, G. UNSPECIFIED UNSPECIFIED UNSPECIFIED Wu, Hua UNSPECIFIED orcid.org/0000-0003-1280-202X UNSPECIFIED Haverkort, M. W. UNSPECIFIED UNSPECIFIED UNSPECIFIED Roth, H. UNSPECIFIED UNSPECIFIED UNSPECIFIED Komarek, A. C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Offi, F. UNSPECIFIED UNSPECIFIED UNSPECIFIED Monaco, G. UNSPECIFIED UNSPECIFIED UNSPECIFIED Liao, Y. -F. UNSPECIFIED UNSPECIFIED UNSPECIFIED Tsuei, K. -D. UNSPECIFIED UNSPECIFIED UNSPECIFIED Lin, H. -J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Chen, C. T. UNSPECIFIED UNSPECIFIED UNSPECIFIED Tanaka, A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Tjeng, L. H. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-189735
DOI:	10.1103/PhysRevX.8.021004
Journal or Publication Title:	Phys. Rev. X
Volume:	8
Number:	2
Date:	2018
Publisher:	AMER PHYSICAL SOC
Place of Publication:	COLLEGE PK
ISSN:	2160-3308
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language X-RAY-ABSORPTION; PHOTOEMISSION SPECTRA; CRYSTAL-STRUCTURE; RESONANT 3D; TI 2P; OXIDES; V2O3; VO2; HYBRIDIZATION; SURFACE Multiple languages Physics, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/18973