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:
CreatorsEmailORCIDORCID Put Code
Chang, C. F.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Koethe, T. C.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Hu, Z.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Weinen, J.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Agrestini, S.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Zhao, L.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Gegner, J.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Ott, H.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Panaccione, G.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Wu, HuaUNSPECIFIEDorcid.org/0000-0003-1280-202XUNSPECIFIED
Haverkort, M. W.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Roth, H.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Komarek, A. C.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Offi, F.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Monaco, G.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Liao, Y. -F.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Tsuei, K. -D.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Lin, H. -J.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Chen, C. T.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Tanaka, A.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Tjeng, L. H.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
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:
KeywordsLanguage
X-RAY-ABSORPTION; PHOTOEMISSION SPECTRA; CRYSTAL-STRUCTURE; RESONANT 3D; TI 2P; OXIDES; V2O3; VO2; HYBRIDIZATION; SURFACEMultiple languages
Physics, MultidisciplinaryMultiple languages
Refereed: Yes
URI: http://kups.ub.uni-koeln.de/id/eprint/18973

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