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(a) Energies for different magnetic orders as a function of the c-axis lattice constant. (b) The energy difference between the A-type AFM and FM as a function of the c-axis lattice constant. (c) The Ti-O-Ti bond angle in ab-plane and along the c-axis, respectively, for the A-type AFM state.
(a) Total DOS of YTiO3 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.
The energy difference (per Ti) between magnetic states and the NM state for unstrained bulk YTiO3: E(magnetic)-E(NM), in unit of eV and the corresponding local magnetic moments per Ti in unit of .
Bond angles in the ab-plane and along c-axis of YTiO3 film on LaAlO3 substrate and bulk YTiO3.
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