Exceptionally large room-temperature ferroelectric polarization in the PbNiO3 multiferroic nickelate: First-principles study

Xianfeng Hao; Alessandro Stroppa; Silvia Picozzi; Alessio Filippetti; Cesare Franchini

doi:10.1103/PhysRevB.86.014116

Exceptionally large room-temperature ferroelectric polarization in the PbNiO3 multiferroic nickelate: First-principles study

Xianfeng Hao
, Alessandro Stroppa
, Silvia Picozzi
, Alessio Filippetti
, Cesare Franchini

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Article number	014116
Number of pages	5
Journal	Physical Review B
Volume	86
Issue number	1
DOIs	https://doi.org/10.1103/PhysRevB.86.014116
Publication status	Published - 30 Jul 2012

Funding

Support by the European Community (FP7 EU-INDIA grant ATHENA and ERC Starting Grant No. 203523 BISMUTH) is gratefully acknowledged. X. H. thanks C. Ederer and C.-Y. Ren for their helpful advice and comments. A. S. thanks J. M. Perez-Mato for useful discussions. The calculations have been performed on the Vienna Scientific Cluster (VSC) and, partially, in the CASPUR Supercomputing Center in Rome.

Austrian Fields of Science 2012

103009 Solid state physics
103015 Condensed matter
103025 Quantum mechanics
103036 Theoretical physics

Keywords

BILBAO CRYSTALLOGRAPHIC SERVER
AUGMENTED-WAVE METHOD
ELECTRIC POLARIZATION
TRANSITION
PEROVSKITE
DISTORTION
STABILITY
SPECTRA
METALS
ORIGIN

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10.1103/PhysRevB.86.014116

http://arxiv.org/abs/1206.2761

Cite this

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Exceptionally large room-temperature ferroelectric polarization in the PbNiO3 multiferroic nickelate: First-principles study

Funding

Austrian Fields of Science 2012

Keywords

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