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Strain-engineered A-type antiferromagnetic order in YTiO3: A first-principles calculation
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10.1063/1.4793644
/content/aip/journal/jap/113/17/10.1063/1.4793644
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/17/10.1063/1.4793644

Figures

Image of FIG. 1.
FIG. 1.

(a) Energies for different magnetic orders as a function of the -axis lattice constant. (b) The energy difference between the A-type AFM and FM as a function of the -axis lattice constant. (c) The Ti-O-Ti bond angle in -plane and along the -axis, respectively, for the A-type AFM state.

Image of FIG. 2.
FIG. 2.

(a) Total DOS of YTiO film. The Fermi energy is positioned at zero. (b) The energy gap as a function of . The critical value for zero gap is estimated as 0.6 eV by extrapolation.

Tables

Generic image for table
Table I.

The energy difference (per Ti) between magnetic states and the NM state for unstrained bulk YTiO: (magnetic)-(NM), in unit of eV and the corresponding local magnetic moments per Ti in unit of .

Generic image for table
Table II.

Bond angles in the -plane and along -axis of YTiO film on LaAlO substrate and bulk YTiO.

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/content/aip/journal/jap/113/17/10.1063/1.4793644
2013-02-27
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Strain-engineered A-type antiferromagnetic order in YTiO3: A first-principles calculation
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/17/10.1063/1.4793644
10.1063/1.4793644
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