Insight into the effect of high pressure on multiferroic properties of TmNiO3

The crystal structural trends, electronic structure, magnetism and ferroelectric polarization of TmNiO3 at pressures from 0 to 10 GPa are predicted using density functional theory (DFT) plus Hubbard U study. We investigate how the Hubbard interaction U, and the pressure are affecting the multiferroi...

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Veröffentlicht in:	Journal of alloys and compounds 2020-01, Vol.815, p.152351, Article 152351
Hauptverfasser:	Xin, Chao, Sun, Zhixin, Yuan, Boshi, Wei, Zhi, Li, Hui, Hu, Zongxiang, Jin, Guangyong
Format:	Artikel
Sprache:	eng
Schlagworte:	Antiferromagnetism Charge order Crystal structure Density functional theory Electronic structure Energy gap Ferroelectric materials Ferroelectricity High pressure Magnetic moments Magnetic properties Magnetism Multiferroic Multiferroic materials Polarization Pressure effects Spontaneous polarization
Online-Zugang:	Volltext
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