Universität zu Köln

Li, Nana, Fan, Fengren, Sun, Fei, Wang, Yonggang, Zhao, Yongsheng, Liu, Fengliang, Zhang, Qian, Ikuta, Daijo, Xiao, Yuming, Chow, Paul, Heald, Steve M., Sun, Chengjun, Brewe, Dale, Li, Aiguo, Lu, Xujie, Mao, Ho-kwang, Khomskii, Daniel, I, Wu, Hua ORCID: 0000-0003-1280-202X and Yang, Wenge (2019). Pressure-enhanced interplay between lattice, spin, and charge in the mixed perovskite La2FeMnO6. Phys. Rev. B, 99 (19). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2469-9969

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Abstract

Spin crossover plays a central role in the structural instability, net magnetic moment modification, metallization, and even in superconductivity in corresponding materials. Most reports on the pressure-induced spin crossover with a large volume collapse have so far focused on compounds with a single transition metal. Here we report a comprehensive high-pressure investigation of a mixed Fe-Mn perovskite La2FeMnO6. Under pressure, the strong coupling between Fe andMn leads to a combined valence/spin transition: Fe3+(S = 5/2) -> Fe2+(S = 0) and Mn3+(S = 2) -> Mn4+(S = 3/2), with an isostructural phase transition. The spin transitions of both Fe and Mn are offset by similar to 20 GPa of the onset pressure, and the lattice collapse occurs in between. Interestingly, Fe3+ ion shows an abnormal behavior when it reaches a lower valence state (Fe2+) accompanied by a +0.5 eV energy shift in the Fe K-absorption edge at 15 GPa. This process is associated with the charge-spin-orbital state transition from high spin Fe3+ to low spin Fe2+, caused by the significantly enhanced t(2g)-e(g) crystal field splitting in the compressed lattice under high pressure. Density functional theory calculations confirm the energy preference of the high-pressure state with charge redistribution accompanied by spin state transition of Fe ions. Moreover, La2FeMnO6 maintains semiconductor behaviors even when the pressure reached 144.5 GPa as evidenced by the electrical transport measurements, despite the huge resistivity decreasing seven orders of magnitude compared with that at ambient pressure. The investigation carried out here demonstrates high flexibility of double perovskites and their good potentials for optimizing the functionality of these materials.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Li, Nana UNSPECIFIED UNSPECIFIED UNSPECIFIED Fan, Fengren UNSPECIFIED UNSPECIFIED UNSPECIFIED Sun, Fei UNSPECIFIED UNSPECIFIED UNSPECIFIED Wang, Yonggang UNSPECIFIED UNSPECIFIED UNSPECIFIED Zhao, Yongsheng UNSPECIFIED UNSPECIFIED UNSPECIFIED Liu, Fengliang UNSPECIFIED UNSPECIFIED UNSPECIFIED Zhang, Qian UNSPECIFIED UNSPECIFIED UNSPECIFIED Ikuta, Daijo UNSPECIFIED UNSPECIFIED UNSPECIFIED Xiao, Yuming UNSPECIFIED UNSPECIFIED UNSPECIFIED Chow, Paul UNSPECIFIED UNSPECIFIED UNSPECIFIED Heald, Steve M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Sun, Chengjun UNSPECIFIED UNSPECIFIED UNSPECIFIED Brewe, Dale UNSPECIFIED UNSPECIFIED UNSPECIFIED Li, Aiguo UNSPECIFIED UNSPECIFIED UNSPECIFIED Lu, Xujie UNSPECIFIED UNSPECIFIED UNSPECIFIED Mao, Ho-kwang UNSPECIFIED UNSPECIFIED UNSPECIFIED Khomskii, Daniel, I UNSPECIFIED UNSPECIFIED UNSPECIFIED Wu, Hua UNSPECIFIED orcid.org/0000-0003-1280-202X UNSPECIFIED Yang, Wenge UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-148410
DOI:	10.1103/PhysRevB.99.195115
Journal or Publication Title:	Phys. Rev. B
Volume:	99
Number:	19
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 X-RAY-ABSORPTION; MAGNETIC-PROPERTIES; CROSSOVER; TRANSITION; COMPLEXES; MOSSBAUER; IRON(II); STATE; CONDUCTIVITY; SPECTROSCOPY Multiple languages Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/14841