Universität zu Köln

Hermann, V, Biswas, S., Ebad-Allah, J., Freund, F., Jesche, A., Tsirlin, A. A., Hanfland, M., Khomskii, D., Gegenwart, P., Valenti, R. and Kuntscher, C. A. (2019). Pressure-induced formation of rhodium zigzag chains in the honeycomb rhodate Li2RhO3. Phys. Rev. B, 100 (6). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2469-9969

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Abstract

We use powder x-ray diffraction to study the effect of pressure on the crystal structure of the honeycomb rhodate Li2RhO3. We observe low-pressure (P < P-c1 = 6.5GPa) and high-pressure (P > P-c2 = 14 GPa) regions corresponding to the monoclinic C2/m symmetry, while a phase mixture is observed at intermediate pressures. At P > P-c2, the honeycomb structure becomes distorted and features short Rh-Rh bonds forming zigzag chains stretched along the crystallographic a direction. This is in contrast to dimerized patterns observed in triclinic high-pressure polymorphs of alpha-Li2IrO3 and alpha-RuCl3. Density-functional theory calculations at various pressure conditions reveal that the observed rhodium zigzag-chain pattern is not expected under hydrostatic pressure but can be reproduced by assuming anisotropic pressure conditions.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Hermann, V UNSPECIFIED UNSPECIFIED UNSPECIFIED Biswas, S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Ebad-Allah, J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Freund, F. UNSPECIFIED UNSPECIFIED UNSPECIFIED Jesche, A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Tsirlin, A. A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Hanfland, M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Khomskii, D. UNSPECIFIED UNSPECIFIED UNSPECIFIED Gegenwart, P. UNSPECIFIED UNSPECIFIED UNSPECIFIED Valenti, R. UNSPECIFIED UNSPECIFIED UNSPECIFIED Kuntscher, C. A. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-143872
DOI:	10.1103/PhysRevB.100.064105
Journal or Publication Title:	Phys. Rev. B
Volume:	100
Number:	6
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 POWDER DIFFRACTION; TEMPERATURE; BEHAVIOR; DIFFAX Multiple languages Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/14387