Influence of magnetic order on phonon spectra of multiferroic orthorhombic YMnO3

Publikationstyp
Journal Article
Publikationsdatum
2013-04-06
Sprache
English
Author
Nikolaev, S. A. 
Mazurenko, V. G. 
Rudenko, Alexander N. 
Institut
Chemische Reaktionstechnik V-2 
TORE-URI
http://hdl.handle.net/11420/6776
Enthalten in
Solid state communications 
Volume
164
Start Page
16
End Page
21
Citation
Solid State Communications (164): 16-21 (2013)
Publisher DOI
10.1016/j.ssc.2013.03.031
Scopus ID
2-s2.0-84877908507
Publisher
Elsevier Science
We perform a first-principles study of lattice dynamics in the low-temperature P21nm phase of orthorhombic YMnO3. 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 YMnO3. © 2013 Elsevier Ltd. All rights reserved.
Schlagworte
Ferroelectrics
Magnetically ordered materials
Phonons
DDC Class
540: Chemie
More Funding Information
Ministry of Education and Science of the Russian Federation