Magnetic structure of hexagonal YMnO3 and LuMnO3 from a microscopic point of view / Solovyev I. V.,Valentyuk M. V.,Mazurenko V. V. // PHYSICAL REVIEW B. - 2012. - V. 86, l. 5.

ISSN/EISSN:

1098-0121 / нет данных

Type:

Article

Abstract:

The aim of this work is to establish a basic microscopic picture, which stands behind complex magnetic properties of hexagonal manganites. For these purposes, we consider two characteristic compounds: YMnO3 and LuMnO3, which form different magnetic structures in the ground state (P (6) under bar (3)c (m) under bar and P (6) under bar (3)(c) under barm, respectively). First, we construct an electronic low-energy model for the Mn 3d bands of YMnO3 and LuMnO3, and derive parameters of this model from the first-principles calculations. From the solution of this model, we conclude that, despite strong frustration effects in the hexagonal lattice, the relativistic spin-orbit interaction lifts the degeneracy of the magnetic ground state. Furthermore, the experimentally observed magnetic structures are successfully reproduced by the low-energy model. Then, we analyze this result in terms of interatomic magnetic interactions, which were computed using different types of approximations (starting from the model Hamiltonian as well as directly from the first-principles electronic structure calculations in the local-spin-density approximation). We argue that the main reason why YMnO3 and LuMnO3 tend to form different magnetic structures is related to the behavior of the single-ion anisotropy, which reflects the directional dependence of the lattice distortion: namely, the expansion and contraction of the Mn-trimers, which take place in YMnO3 and LuMnO3, respectively. On the other hand, the magnetic coupling between the planes is controlled by the next-nearest-neighbor interactions, which are less sensitive to the direction of the trimerization. In the P (6) under bar (3)c (m) under bar structure of YMnO3, the Dzyaloshinskii-Moriya interactions lead to the spin canting out of the hexagonal plane, which is additive to the effect of the single-ion anisotropy. Finally, using the Berry-phase formalism, we evaluate the magnetic-state dependence of the ferroelectric polarization, and discuss potential applications of the latter in magnetoelectric switching phenomena.

Author keywords:

MANGANITES; RMNO3; FERROELECTRICITY; DIFFRACTION; DENSITY; ALLOYS; ORIGIN; CHARGE

DOI:

10.1103/PhysRevB.86.054407

Web of Science ID:

ISI:000307270200001

Соавторы в МНС:

Другие поля

Поле	Значение
Month	AUG 7
Publisher	AMER PHYSICAL SOC
Address	ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Language	English
Article-Number	054407
Keywords-Plus	MANGANITES; RMNO3; FERROELECTRICITY; DIFFRACTION; DENSITY; ALLOYS; ORIGIN; CHARGE
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
Author-Email	SOLOVYEV.Igor@nims.go.jp
ResearcherID-Numbers	Mazurenko, Vladimir/P-9241-2017 Solovyev, Igor/B-1320-2010
ORCID-Numbers	Solovyev, Igor/0000-0002-2010-9877
Funding-Acknowledgement	Russian Federation {[}MK-406.2011.2]; scientific program ``Development of scientific potential of Universities{''} {[}RFFI 12-02-90810]; Ministry of education and science of Russia {[}12.740.11.0026]
Funding-Text	The work of M. V. V. and V. V. M. is supported by the grant program of President of Russian Federation MK-406.2011.2, the scientific program ``Development of scientific potential of Universities{''
Number-of-Cited-References	32
Usage-Count-Last-180-days	5
Usage-Count-Since-2013	102
Journal-ISO	Phys. Rev. B
Doc-Delivery-Number	985MG