Universität zu Köln

Chin, Y. Y., Hu, Z., Lin, H-J, Agrestini, S., Weinen, J., Martin, C., Hebert, S., Maignan, A., Tanaka, A., Cezar, J. C., Brookes, N. B., Liao, Y-F, Tsuei, K-D, Chen, C. T., Khomskii, D., I and Tjeng, L. H. (2019). Spin-orbit coupling and crystal-field distortions for a low-spin 3d(5) state in BaCoO3. Phys. Rev. B, 100 (20). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2469-9969

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Abstract

We have studied the electronic structure of BaCoO3 using soft x-ray absorption spectroscopy at the Co L-2,L-3 and O K edges, magnetic circular dichroism at the Co L-2,L-3 edges, and valence band hard x-ray photoelectron spectroscopy. The quantitative analysis of the spectra established that the Co ions are in the formal low-spin tetravalent 3d(5) state and that the system is a negative charge transfer Mott insulator. The spin-orbit coupling also plays an important role for the magnetism of the system. At the same time, a trigonal crystal field is present with sufficient strength to bring the 3d(5) ion away from the J(eff )= 1/2 state. The sign of this crystal field is such that the a(1g) orbital is doubly occupied, explaining the absence of a Peierls transition in this system, which consists of chains of face-sharing CoO6 octahedra. Moreover, with one hole residing in e(g)(pi), the presence of an orbital moment and strong magnetocrystalline anisotropy can be understood. Yet we also infer that crystal fields with lower symmetry must be present to reproduce the measured orbital moment quantitatively, thereby suggesting the possibility for orbital ordering to occur in BaCoO3.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Chin, Y. Y. UNSPECIFIED UNSPECIFIED UNSPECIFIED Hu, Z. UNSPECIFIED UNSPECIFIED UNSPECIFIED Lin, H-J UNSPECIFIED UNSPECIFIED UNSPECIFIED Agrestini, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Weinen, J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Martin, C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Hebert, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Maignan, A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Tanaka, A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Cezar, J. C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Brookes, N. B. UNSPECIFIED UNSPECIFIED UNSPECIFIED Liao, Y-F UNSPECIFIED UNSPECIFIED UNSPECIFIED Tsuei, K-D UNSPECIFIED UNSPECIFIED UNSPECIFIED Chen, C. T. UNSPECIFIED UNSPECIFIED UNSPECIFIED Khomskii, D., I UNSPECIFIED UNSPECIFIED UNSPECIFIED Tjeng, L. H. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-127125
DOI:	10.1103/PhysRevB.100.205139
Journal or Publication Title:	Phys. Rev. B
Volume:	100
Number:	20
Date:	2019
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 RAY-ABSORPTION-SPECTRA; ELECTRONIC-STRUCTURE; GIANT MAGNETORESISTANCE; MAGNETIC-PROPERTIES; CIRCULAR-DICHROISM; TRANSITION; COBALT; OXIDE; SUPERCONDUCTIVITY; CONFIGURATIONS Multiple languages Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/12712