Universität zu Köln

Murota, Kota, Pachoud, Elise, Attfield, J. Paul, Glaum, Robert ORCID: 0000-0001-5805-1466, Yasuda, Tatsunori, Ootsuki, Daiki, Takagi, Yasumasa ORCID: 0000-0001-8064-3345, Yasui, Akira, Khomskii, Daniel, I and Mizokawa, Takashi ORCID: 0000-0002-7682-2348 (2020). Charge correlation in V2OPO4 probed by hard x-ray photoemission spectroscopy. Phys. Rev. B, 101 (23). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2469-9969

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Abstract

Electronic properties of V2OPO4 have been investigated by means of hard x-ray photoemission spectroscopy (HAXPES) and subsequent theoretical calculations. The V 1s and 2p HAXPES spectra are consistent with the charge ordering of V2+ and V3+. The binding energy difference between the V2+ and V3+ components is unexpectedly large, indicating large bonding-antibonding splitting between them in the final states of core level photoemission. The V 1s HAXPES spectrum exhibits a charge transfer satellite which can be analyzed by configuration interaction calculations on a V2O9 cluster. The V 3d spectral weight near the Fermi level is assigned to the 3d t(2g) orbitals of the V2+ site. The broad V 3d spectral distribution is consistent with the strong hybridization between V2+ and V3+ in the ground state. The core level and valence band HAXPES results indicate substantial charge transfer from the V2+ site to the V3+ site.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Murota, Kota UNSPECIFIED UNSPECIFIED UNSPECIFIED Pachoud, Elise UNSPECIFIED UNSPECIFIED UNSPECIFIED Attfield, J. Paul UNSPECIFIED UNSPECIFIED UNSPECIFIED Glaum, Robert UNSPECIFIED orcid.org/0000-0001-5805-1466 UNSPECIFIED Yasuda, Tatsunori UNSPECIFIED UNSPECIFIED UNSPECIFIED Ootsuki, Daiki UNSPECIFIED UNSPECIFIED UNSPECIFIED Takagi, Yasumasa UNSPECIFIED orcid.org/0000-0001-8064-3345 UNSPECIFIED Yasui, Akira UNSPECIFIED UNSPECIFIED UNSPECIFIED Khomskii, Daniel, I UNSPECIFIED UNSPECIFIED UNSPECIFIED Mizokawa, Takashi UNSPECIFIED orcid.org/0000-0002-7682-2348 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-329291
DOI:	10.1103/PhysRevB.101.235159
Journal or Publication Title:	Phys. Rev. B
Volume:	101
Number:	23
Date:	2020
Publisher:	AMER PHYSICAL SOC
Place of Publication:	COLLEGE PK
ISSN:	2469-9969
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language METAL-INSULATOR TRANSITIONS; ELECTRONIC-STRUCTURE; ORBITAL OCCUPATION; OXIDES; PHASE; SPIN Multiple languages Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/32929