Influence of magnetic order on phonon spectra of multiferroic orthorhombic YMnO3

Abstract

a b s t r a c tWe perform a first-principles study of lattice dynamics in the low-temperature P2 1 nm phase of orthorhombic YMnO 3 . By considering several possible antiferromagnetic types, we show how magnetic ordering of the system affects its vibrational properties. We find that the experimentally observed magnetic E-type corresponds to the most energetically favorable state and yields phonon spectra, which are consistent with experimental observations. The influence of on-site Coulomb correlations on phonon spectra is also examined. Such effects produce noticeable changes in the spectra and provide a step toward a more accurate description of lattice dynamics in YMnO 3 .

Important Variation in Vibrational Properties of LiFePO4 and FePO4 Induced by Magnetism

“…We used first-principle calculations to study electronic and crystalline structures of different magnetic phases of FP and LFP and consequently to understand this unusual behavior of the Debye temperature. The influence of magnetic ordering on vibration properties of transition metals compounds and oxides is already reported in literature1718 (and the references within them). However, our approach in this study, to correlate the effects of magnetic ordering on the vibrational properties from a macroscopic perspective and through the study of the critical behaviour of the Debye temperature is very original.…”

Hydrothermally assisted synthesis of YMnO

“…YMnO 3 can adopt both structures, but the orthorhombic phase can be obtained only by special synthesis methods, for example soft chemical method or mechanochemical synthesis [3][4][5]. The orthorhombic YMnO 3 exhibits an incommensurate antiferromagnetic transition at $ 40 K (T N -Néel temperature) and the ferroelectric transition at about 30 K [6,7]. The hexagonal YMnO 3 displays ferroelectric and antiferromagnetic properties with a strong coupling between them below 75 K [8].…”

Magnetic and vibrational properties of small chromium clusters on the Cu(111) surface

“…For example, in magnetic perovskite oxides it has a strong influence on the structural transformations accompanied by the magnetic transitions. 26,27 A high degree of interrelation between the magnetic structure, lattice vibrations and electronic conductivity was also revealed in NaOsO 3 and h-FeS, demonstrating a metal-insulator transition. 28,29 Strong spin-phonon coupling and its implications for superconductivity in iron pnictides were discussed 30 and anisotropy of the phonon modes depending on the spin order was revealed.…”