Pressure-dependent X-ray diffraction of the multiferroics RMn2O5.
Acta Crystallogr B Struct Sci Cryst Eng Mater
; 75(Pt 4): 687-696, 2019 Aug 01.
Article
em En
| MEDLINE
| ID: mdl-32830724
ABSTRACT
The room-temperature structural properties of the RMn2O5 multiferroics have been investigated under pressure, using powder X-ray scattering and density functional theory (DFT) calculations. It was possible to determine the lattice parameters and the main atomic positions as a function of pressure. Good agreement was observed between the X-ray and DFT results for most of the determined crystallographic data. From the DFT calculations, it was possible to infer the pressure evolution of the exchange interactions, and this analysis led to the conclusion that the onset of the q = (½, 0, ½) magnetic structure under pressure is related to the increase in the J1 super-exchange terms (due to the reduction in the Mn-O distances) compared with the Mn-R exchange interactions. In addition, the 1D antiferromagnetic character of the compounds should be reinforced under pressure.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr B Struct Sci Cryst Eng Mater
Ano de publicação:
2019
Tipo de documento:
Article
País de afiliação:
França